 
*******************************************************************************
                               MCTDH version  8
                                  Release     4
                                  Revision    5
*******************************************************************************
 
 ------ Host: "cauchy" ----------Fri Apr 30 11:46:49 2010
               
 /worka/dieter/pyr24+IB/standart/p24+
------------------------------------------------------------------------------
 
 Time  =       0.00 fs,       CPU =      95.32 s,    Norm    = 1.00000000
 E-tot =   2.401410 eV,    E-corr =   0.423000eV,    Delta-E =     0.0000 meV
 
 state = 1  pop.: 0.00000000   E-corr:   0.000000eV,    E-tot =   0.000000eV
 state = 2  pop.: 1.00000000   E-corr:   0.423000eV,    E-tot =   2.401410eV

 Natural weights *1000,  state = 1
v10a      C2:   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     8 - 14>    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
v1        C3:   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     8 -  8>    0.0000
v2        C3:   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
v4        C3:   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
v16a      C3:   0.0000   0.0000   0.0000   0.0000
v19b      C2:   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
v18a      C4:   0.0000   0.0000   0.0000   0.0000   0.0000
v20b      C4:   0.0000   0.0000   0.0000

 Mode expectation values and variances,  state = 1
v10a        : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v6a         : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v1          : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v9a         : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v8a         : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v2          : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v6b         : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v8b         : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v4          : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v5          : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v3          : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v16a        : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v12         : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v13         : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v19b        : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v18b        : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v18a        : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v14         : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v19a        : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v17a        : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v20b        : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v16b        : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v11         : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000
v7b         : <q>=   0.0000  <dq>=   0.0000  <n>=   0.0000  <dn>=   0.0000

 Natural weights *1000,  state = 2
v10a      C2:1000.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     8 - 11>    0.0000   0.0000   0.0000   0.0000
v1        C3:1000.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
v2        C3:1000.0000   0.0000   0.0000   0.0000   0.0000
v4        C3:1000.0000   0.0000   0.0000   0.0000
v16a      C3:1000.0000   0.0000   0.0000   0.0000   0.0000
v19b      C2:1000.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
v18a      C4:1000.0000   0.0000   0.0000   0.0000   0.0000
v20b      C4:1000.0000   0.0000   0.0000   0.0000

 Mode expectation values and variances,  state = 2
v10a        : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v6a         : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v1          : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v9a         : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v8a         : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v2          : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v6b         : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v8b         : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v4          : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v5          : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v3          : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v16a        : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v12         : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v13         : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v19b        : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v18b        : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v18a        : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v14         : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v19a        : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v17a        : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v20b        : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v16b        : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v11         : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
v7b         : <q>=   0.0000  <dq>=   0.7071  <n>=   0.0000  <dn>=   0.0000
------------------------------------------------------------------------------
 
 Time  =       0.50 fs,       CPU =    1171.94 s,    Norm    = 1.00000000
 E-tot =   2.401410 eV,    E-corr =   0.420846eV,    Delta-E =    -0.0001 meV
 
 state = 1  pop.: 0.01256855   E-corr:  -0.000705eV,    E-tot =   0.025338eV
 state = 2  pop.: 0.98743145   E-corr:   0.421551eV,    E-tot =   2.376072eV

 Natural weights *1000,  state = 1
v10a      C2:  12.0929   0.4752   0.0004   0.0000   0.0000   0.0000   0.0000
     8 - 14>   2.8E-12  3.9E-13  7.5E-14  4.9E-14  9.7E-16  2.4E-16  1.1E-16
v1        C3:  12.5659   0.0023   0.0004   0.0000   0.0000   0.0000   0.0000
     8 -  8>   1.8E-12
v2        C3:  12.3765   0.1254   0.0658   0.0009   0.0000   0.0000
v4        C3:  12.3774   0.1254   0.0571   0.0087   0.0000   0.0000
v16a      C3:  12.4529   0.0892   0.0264   0.0000
v19b      C2:  12.4990   0.0646   0.0048   0.0001   0.0000   0.0000   0.0000
v18a      C4:  12.3347   0.1182   0.0889   0.0265   0.0003
v20b      C4:  12.3908   0.1776   0.0002

 Mode expectation values and variances,  state = 1
v10a        : <q>=   0.0000  <dq>=   1.2047  <n>=   0.9625  <dn>=   0.1923
v6a         : <q>=   0.1001  <dq>=   0.7033  <n>=   0.0053  <dn>=   0.0727
v1          : <q>=   0.0412  <dq>=   0.7060  <n>=   0.0046  <dn>=   0.0677
v9a         : <q>=   0.0119  <dq>=   0.7069  <n>=   0.0027  <dn>=   0.0521
v8a         : <q>=   0.0704  <dq>=   0.7052  <n>=   0.0027  <dn>=   0.0519
v2          : <q>=   0.0482  <dq>=   0.7064  <n>=   0.0013  <dn>=   0.0359
v6b         : <q>=   0.0000  <dq>=   0.7141  <n>=   0.0099  <dn>=   0.0993
v8b         : <q>=   0.0000  <dq>=   0.7152  <n>=   0.0074  <dn>=   0.0977
v4          : <q>=   0.0000  <dq>=   0.7148  <n>=   0.0093  <dn>=   0.0986
v5          : <q>=   0.0000  <dq>=   0.7111  <n>=   0.0058  <dn>=   0.0761
v3          : <q>=   0.0000  <dq>=   0.7038  <n>=   0.0021  <dn>=   0.0599
v16a        : <q>=   0.0000  <dq>=   0.7093  <n>=   0.0021  <dn>=   0.0458
v12         : <q>=   0.0000  <dq>=   0.7116  <n>=   0.0068  <dn>=   0.0853
v13         : <q>=   0.0000  <dq>=   0.7076  <n>=   0.0007  <dn>=   0.0268
v19b        : <q>=   0.0000  <dq>=   0.7060  <n>=   0.0012  <dn>=   0.0352
v18b        : <q>=   0.0000  <dq>=   0.7112  <n>=   0.0058  <dn>=   0.0765
v18a        : <q>=   0.0000  <dq>=   0.7077  <n>=   0.0014  <dn>=   0.0378
v14         : <q>=   0.0000  <dq>=   0.7109  <n>=   0.0103  <dn>=   0.1057
v19a        : <q>=   0.0000  <dq>=   0.7081  <n>=   0.0009  <dn>=   0.0319
v17a        : <q>=   0.0000  <dq>=   0.7122  <n>=   0.0072  <dn>=   0.0850
v20b        : <q>=   0.0000  <dq>=   0.7070  <n>=   0.0000  <dn>=   0.0037
v16b        : <q>=   0.0000  <dq>=   0.7077  <n>=   0.0005  <dn>=   0.0284
v11         : <q>=   0.0000  <dq>=   0.7170  <n>=   0.0139  <dn>=   0.1171
v7b         : <q>=   0.0000  <dq>=   0.7072  <n>=   0.0000  <dn>=   0.0020

 Natural weights *1000,  state = 2
v10a      C2: 987.4133   0.0103   0.0061   0.0017   0.0000   0.0000   0.0000
     8 - 11>   1.7E-12  5.9E-13  5.9E-14  5.0E-15
v1        C3: 987.3656   0.0639   0.0018   0.0001   0.0000   0.0000   0.0000
v2        C3: 986.8265   0.5470   0.0564   0.0015   0.0000
v4        C3: 986.8829   0.5462   0.0016   0.0007
v16a      C3: 987.4058   0.0187   0.0062   0.0008   0.0000
v19b      C2: 985.8751   1.4808   0.0753   0.0002   0.0000   0.0000   0.0000
v18a      C4: 985.9428   1.4630   0.0180   0.0061   0.0016
v20b      C4: 987.3270   0.1021   0.0024   0.0000

 Mode expectation values and variances,  state = 2
v10a        : <q>=   0.0000  <dq>=   0.6990  <n>=   0.0002  <dn>=   0.0196
v6a         : <q>=   0.0016  <dq>=   0.7071  <n>=   0.0053  <dn>=   0.0729
v1          : <q>=  -0.0068  <dq>=   0.7071  <n>=   0.0085  <dn>=   0.0922
v9a         : <q>=  -0.0018  <dq>=   0.7071  <n>=   0.0005  <dn>=   0.0221
v8a         : <q>=  -0.0019  <dq>=   0.7070  <n>=   0.0002  <dn>=   0.0143
v2          : <q>=   0.0012  <dq>=   0.7071  <n>=   0.0001  <dn>=   0.0114
v6b         : <q>=   0.0000  <dq>=   0.7072  <n>=   0.0000  <dn>=   0.0074
v8b         : <q>=   0.0000  <dq>=   0.7119  <n>=   0.0029  <dn>=   0.0719
v4          : <q>=   0.0000  <dq>=   0.7083  <n>=   0.0007  <dn>=   0.0377
v5          : <q>=   0.0000  <dq>=   0.7072  <n>=   0.0001  <dn>=   0.0075
v3          : <q>=   0.0000  <dq>=   0.7038  <n>=   0.0019  <dn>=   0.0569
v16a        : <q>=   0.0000  <dq>=   0.7073  <n>=   0.0001  <dn>=   0.0157
v12         : <q>=   0.0000  <dq>=   0.7075  <n>=   0.0001  <dn>=   0.0099
v13         : <q>=   0.0000  <dq>=   0.7070  <n>=   0.0000  <dn>=   0.0028
v19b        : <q>=   0.0000  <dq>=   0.7063  <n>=   0.0044  <dn>=   0.0669
v18b        : <q>=   0.0000  <dq>=   0.7077  <n>=   0.0030  <dn>=   0.0561
v18a        : <q>=   0.0000  <dq>=   0.7069  <n>=   0.0000  <dn>=   0.0064
v14         : <q>=   0.0000  <dq>=   0.7047  <n>=   0.0024  <dn>=   0.0576
v19a        : <q>=   0.0000  <dq>=   0.7077  <n>=   0.0000  <dn>=   0.0084
v17a        : <q>=   0.0000  <dq>=   0.7073  <n>=   0.0000  <dn>=   0.0067
v20b        : <q>=   0.0000  <dq>=   0.7070  <n>=   0.0001  <dn>=   0.0102
v16b        : <q>=   0.0000  <dq>=   0.7076  <n>=   0.0003  <dn>=   0.0239
v11         : <q>=   0.0000  <dq>=   0.7072  <n>=   0.0000  <dn>=   0.0059
v7b         : <q>=   0.0000  <dq>=   0.7072  <n>=   0.0000  <dn>=   0.0004
------------------------------------------------------------------------------
 
 Time  =       1.00 fs,       CPU =    1932.55 s,    Norm    = 1.00000000
 E-tot =   2.401410 eV,    E-corr =   0.414367eV,    Delta-E =    -0.0001 meV
 
 state = 1  pop.: 0.04449323   E-corr:  -0.002941eV,    E-tot =   0.089601eV
 state = 2  pop.: 0.95550677   E-corr:   0.417307eV,    E-tot =   2.311809eV

 Natural weights *1000,  state = 1
v10a      C2:  42.6222   1.8675   0.0029   0.0004   0.0002   0.0000   0.0000
     8 - 14>   2.1E-10  3.4E-11  6.0E-12  4.8E-12  6.6E-13  1.3E-13  1.4E-14
v1        C3:  44.4780   0.0103   0.0048   0.0001   0.0000   0.0000   0.0000
     8 -  8>   3.6E-11
v2        C3:  43.7043   0.4518   0.3294   0.0076   0.0001   0.0000
v4        C3:  43.7119   0.4505   0.2086   0.1223   0.0000   0.0000
v16a      C3:  44.0732   0.3243   0.0949   0.0008
v19b      C2:  44.1357   0.2874   0.0689   0.0011   0.0000   0.0000   0.0000
v18a      C4:  43.4889   0.5842   0.3194   0.0966   0.0040
v20b      C4:  43.6955   0.7944   0.0033

 Mode expectation values and variances,  state = 1
v10a        : <q>=   0.0000  <dq>=   1.1895  <n>=   0.9600  <dn>=   0.2098
v6a         : <q>=   0.1257  <dq>=   0.7001  <n>=   0.0085  <dn>=   0.0922
v1          : <q>=   0.0124  <dq>=   0.7052  <n>=   0.0144  <dn>=   0.1204
v9a         : <q>=   0.0131  <dq>=   0.7063  <n>=   0.0108  <dn>=   0.1039
v8a         : <q>=   0.0616  <dq>=   0.7048  <n>=   0.0024  <dn>=   0.0492
v2          : <q>=   0.0513  <dq>=   0.7064  <n>=   0.0016  <dn>=   0.0406
v6b         : <q>=   0.0000  <dq>=   0.7141  <n>=   0.0102  <dn>=   0.1009
v8b         : <q>=   0.0000  <dq>=   0.7295  <n>=   0.0159  <dn>=   0.1570
v4          : <q>=   0.0000  <dq>=   0.7190  <n>=   0.0109  <dn>=   0.1132
v5          : <q>=   0.0000  <dq>=   0.7109  <n>=   0.0061  <dn>=   0.0799
v3          : <q>=   0.0000  <dq>=   0.6942  <n>=   0.0084  <dn>=   0.1190
v16a        : <q>=   0.0000  <dq>=   0.7116  <n>=   0.0022  <dn>=   0.0466
v12         : <q>=   0.0000  <dq>=   0.7117  <n>=   0.0084  <dn>=   0.1018
v13         : <q>=   0.0000  <dq>=   0.7078  <n>=   0.0008  <dn>=   0.0286
v19b        : <q>=   0.0000  <dq>=   0.7035  <n>=   0.0048  <dn>=   0.0712
v18b        : <q>=   0.0000  <dq>=   0.7139  <n>=   0.0094  <dn>=   0.0978
v18a        : <q>=   0.0000  <dq>=   0.7068  <n>=   0.0016  <dn>=   0.0400
v14         : <q>=   0.0000  <dq>=   0.7054  <n>=   0.0167  <dn>=   0.1422
v19a        : <q>=   0.0000  <dq>=   0.7097  <n>=   0.0014  <dn>=   0.0444
v17a        : <q>=   0.0000  <dq>=   0.7126  <n>=   0.0076  <dn>=   0.0893
v20b        : <q>=   0.0000  <dq>=   0.7069  <n>=   0.0001  <dn>=   0.0087
v16b        : <q>=   0.0000  <dq>=   0.7091  <n>=   0.0013  <dn>=   0.0489
v11         : <q>=   0.0000  <dq>=   0.7201  <n>=   0.0178  <dn>=   0.1322
v7b         : <q>=   0.0000  <dq>=   0.7076  <n>=   0.0000  <dn>=   0.0040

 Natural weights *1000,  state = 2
v10a      C2: 955.3480   0.0920   0.0410   0.0257   0.0000   0.0000   0.0000
     8 - 11>   7.3E-10  2.1E-10  3.3E-12  1.0E-12
v1        C3: 955.2461   0.2394   0.0206   0.0007   0.0000   0.0000   0.0000
v2        C3: 953.1824   2.0891   0.2133   0.0220   0.0000
v4        C3: 953.3957   2.0777   0.0230   0.0104
v16a      C3: 955.3935   0.0802   0.0262   0.0066   0.0003
v19b      C2: 949.6257   5.5820   0.2948   0.0040   0.0003   0.0000   0.0000
v18a      C4: 949.8531   5.5407   0.0703   0.0250   0.0176
v20b      C4: 955.0839   0.3829   0.0398   0.0003

 Mode expectation values and variances,  state = 2
v10a        : <q>=   0.0000  <dq>=   0.6778  <n>=   0.0020  <dn>=   0.0633
v6a         : <q>=   0.0060  <dq>=   0.7070  <n>=   0.0214  <dn>=   0.1462
v1          : <q>=  -0.0264  <dq>=   0.7072  <n>=   0.0344  <dn>=   0.1854
v9a         : <q>=  -0.0076  <dq>=   0.7072  <n>=   0.0019  <dn>=   0.0437
v8a         : <q>=  -0.0068  <dq>=   0.7068  <n>=   0.0008  <dn>=   0.0291
v2          : <q>=   0.0047  <dq>=   0.7071  <n>=   0.0005  <dn>=   0.0223
v6b         : <q>=   0.0000  <dq>=   0.7073  <n>=   0.0002  <dn>=   0.0153
v8b         : <q>=   0.0000  <dq>=   0.7261  <n>=   0.0113  <dn>=   0.1442
v4          : <q>=   0.0000  <dq>=   0.7120  <n>=   0.0029  <dn>=   0.0754
v5          : <q>=   0.0000  <dq>=   0.7075  <n>=   0.0002  <dn>=   0.0153
v3          : <q>=   0.0000  <dq>=   0.6943  <n>=   0.0074  <dn>=   0.1125
v16a        : <q>=   0.0000  <dq>=   0.7080  <n>=   0.0005  <dn>=   0.0320
v12         : <q>=   0.0000  <dq>=   0.7088  <n>=   0.0002  <dn>=   0.0200
v13         : <q>=   0.0000  <dq>=   0.7068  <n>=   0.0000  <dn>=   0.0056
v19b        : <q>=   0.0000  <dq>=   0.7042  <n>=   0.0172  <dn>=   0.1342
v18b        : <q>=   0.0000  <dq>=   0.7096  <n>=   0.0121  <dn>=   0.1130
v18a        : <q>=   0.0000  <dq>=   0.7061  <n>=   0.0001  <dn>=   0.0129
v14         : <q>=   0.0000  <dq>=   0.6978  <n>=   0.0094  <dn>=   0.1144
v19a        : <q>=   0.0000  <dq>=   0.7093  <n>=   0.0002  <dn>=   0.0166
v17a        : <q>=   0.0000  <dq>=   0.7081  <n>=   0.0001  <dn>=   0.0135
v20b        : <q>=   0.0000  <dq>=   0.7068  <n>=   0.0004  <dn>=   0.0201
v16b        : <q>=   0.0000  <dq>=   0.7090  <n>=   0.0011  <dn>=   0.0478
v11         : <q>=   0.0000  <dq>=   0.7073  <n>=   0.0001  <dn>=   0.0128
v7b         : <q>=   0.0000  <dq>=   0.7073  <n>=   0.0000  <dn>=   0.0008
------------------------------------------------------------------------------
 
 Time  =       1.50 fs,       CPU =    2722.16 s,    Norm    = 1.00000000
 E-tot =   2.401410 eV,    E-corr =   0.403946eV,    Delta-E =    -0.0002 meV
 
 state = 1  pop.: 0.08151322   E-corr:  -0.006755eV,    E-tot =   0.163886eV
 state = 2  pop.: 0.91848678   E-corr:   0.410701eV,    E-tot =   2.237523eV

 Natural weights *1000,  state = 1
v10a      C2:  77.8048   3.6834   0.0182   0.0047   0.0017   0.0004   0.0000
     8 - 14>   3.0E-09  6.7E-10  4.4E-10  6.3E-11  4.1E-11  4.0E-12  1.0E-12
v1        C3:  81.4604   0.0313   0.0202   0.0013   0.0001   0.0000   0.0000
     8 -  8>   2.7E-10
v2        C3:  79.7333   0.9332   0.8188   0.0275   0.0003   0.0002
v4        C3:  79.7323   0.8525   0.4947   0.4051   0.0283   0.0003
v16a      C3:  80.7025   0.6256   0.1803   0.0048
v19b      C2:  80.6098   0.6010   0.2942   0.0079   0.0002   0.0000   0.0000
v18a      C4:  79.3501   1.3524   0.6055   0.1874   0.0178
v20b      C4:  79.8787   1.6150   0.0195

 Mode expectation values and variances,  state = 1
v10a        : <q>=   0.0000  <dq>=   1.1657  <n>=   0.9623  <dn>=   0.2401
v6a         : <q>=   0.1699  <dq>=   0.6943  <n>=   0.0158  <dn>=   0.1252
v1          : <q>=  -0.0355  <dq>=   0.7038  <n>=   0.0313  <dn>=   0.1780
v9a         : <q>=   0.0158  <dq>=   0.7052  <n>=   0.0245  <dn>=   0.1572
v8a         : <q>=   0.0472  <dq>=   0.7046  <n>=   0.0022  <dn>=   0.0466
v2          : <q>=   0.0564  <dq>=   0.7080  <n>=   0.0023  <dn>=   0.0478
v6b         : <q>=   0.0000  <dq>=   0.7143  <n>=   0.0108  <dn>=   0.1041
v8b         : <q>=   0.0000  <dq>=   0.7520  <n>=   0.0294  <dn>=   0.2216
v4          : <q>=   0.0000  <dq>=   0.7262  <n>=   0.0138  <dn>=   0.1350
v5          : <q>=   0.0000  <dq>=   0.7111  <n>=   0.0071  <dn>=   0.0881
v3          : <q>=   0.0000  <dq>=   0.6793  <n>=   0.0186  <dn>=   0.1772
v16a        : <q>=   0.0000  <dq>=   0.7155  <n>=   0.0023  <dn>=   0.0491
v12         : <q>=   0.0000  <dq>=   0.7117  <n>=   0.0113  <dn>=   0.1260
v13         : <q>=   0.0000  <dq>=   0.7083  <n>=   0.0010  <dn>=   0.0321
v19b        : <q>=   0.0000  <dq>=   0.7018  <n>=   0.0112  <dn>=   0.1093
v18b        : <q>=   0.0000  <dq>=   0.7186  <n>=   0.0145  <dn>=   0.1234
v18a        : <q>=   0.0000  <dq>=   0.7052  <n>=   0.0019  <dn>=   0.0442
v14         : <q>=   0.0000  <dq>=   0.6954  <n>=   0.0240  <dn>=   0.1784
v19a        : <q>=   0.0000  <dq>=   0.7123  <n>=   0.0023  <dn>=   0.0603
v17a        : <q>=   0.0000  <dq>=   0.7132  <n>=   0.0084  <dn>=   0.0968
v20b        : <q>=   0.0000  <dq>=   0.7069  <n>=   0.0002  <dn>=   0.0156
v16b        : <q>=   0.0000  <dq>=   0.7114  <n>=   0.0027  <dn>=   0.0723
v11         : <q>=   0.0000  <dq>=   0.7221  <n>=   0.0198  <dn>=   0.1395
v7b         : <q>=   0.0000  <dq>=   0.7083  <n>=   0.0000  <dn>=   0.0060

 Natural weights *1000,  state = 2
v10a      C2: 917.8821   0.3880   0.1437   0.0725   0.0003   0.0001   0.0000
     8 - 11>   9.0E-09  6.6E-09  6.5E-11  3.8E-11
v1        C3: 917.9064   0.4950   0.0835   0.0016   0.0002   0.0000   0.0000
v2        C3: 913.5421   4.4140   0.4377   0.0927   0.0003
v4        C3: 913.9801   4.3677   0.0960   0.0429
v16a      C3: 918.2050   0.1960   0.0586   0.0236   0.0036
v19b      C2: 906.3600  11.4622   0.6371   0.0254   0.0019   0.0001   0.0000
v18a      C4: 906.7522  11.4564   0.1535   0.0679   0.0568
v20b      C4: 917.5379   0.7752   0.1726   0.0010

 Mode expectation values and variances,  state = 2
v10a        : <q>=   0.0000  <dq>=   0.6527  <n>=   0.0082  <dn>=   0.1265
v6a         : <q>=   0.0121  <dq>=   0.7067  <n>=   0.0479  <dn>=   0.2191
v1          : <q>=  -0.0567  <dq>=   0.7075  <n>=   0.0779  <dn>=   0.2792
v9a         : <q>=  -0.0182  <dq>=   0.7074  <n>=   0.0042  <dn>=   0.0652
v8a         : <q>=  -0.0133  <dq>=   0.7070  <n>=   0.0020  <dn>=   0.0446
v2          : <q>=   0.0108  <dq>=   0.7070  <n>=   0.0010  <dn>=   0.0320
v6b         : <q>=   0.0000  <dq>=   0.7078  <n>=   0.0005  <dn>=   0.0238
v8b         : <q>=   0.0000  <dq>=   0.7491  <n>=   0.0253  <dn>=   0.2172
v4          : <q>=   0.0000  <dq>=   0.7181  <n>=   0.0066  <dn>=   0.1132
v5          : <q>=   0.0000  <dq>=   0.7081  <n>=   0.0005  <dn>=   0.0234
v3          : <q>=   0.0000  <dq>=   0.6794  <n>=   0.0159  <dn>=   0.1657
v16a        : <q>=   0.0000  <dq>=   0.7088  <n>=   0.0012  <dn>=   0.0483
v12         : <q>=   0.0000  <dq>=   0.7113  <n>=   0.0005  <dn>=   0.0297
v13         : <q>=   0.0000  <dq>=   0.7065  <n>=   0.0001  <dn>=   0.0083
v19b        : <q>=   0.0000  <dq>=   0.7021  <n>=   0.0376  <dn>=   0.2017
v18b        : <q>=   0.0000  <dq>=   0.7133  <n>=   0.0268  <dn>=   0.1708
v18a        : <q>=   0.0000  <dq>=   0.7051  <n>=   0.0003  <dn>=   0.0195
v14         : <q>=   0.0000  <dq>=   0.6870  <n>=   0.0204  <dn>=   0.1691
v19a        : <q>=   0.0000  <dq>=   0.7120  <n>=   0.0003  <dn>=   0.0244
v17a        : <q>=   0.0000  <dq>=   0.7095  <n>=   0.0002  <dn>=   0.0205
v20b        : <q>=   0.0000  <dq>=   0.7066  <n>=   0.0008  <dn>=   0.0291
v16b        : <q>=   0.0000  <dq>=   0.7113  <n>=   0.0026  <dn>=   0.0717
v11         : <q>=   0.0000  <dq>=   0.7076  <n>=   0.0003  <dn>=   0.0211
v7b         : <q>=   0.0000  <dq>=   0.7075  <n>=   0.0000  <dn>=   0.0010
------------------------------------------------------------------------------
 
 Time  =       2.00 fs,       CPU =    3504.96 s,    Norm    = 1.00000000
 E-tot =   2.401410 eV,    E-corr =   0.390881eV,    Delta-E =    -0.0002 meV
 
 state = 1  pop.: 0.10925817   E-corr:  -0.011693eV,    E-tot =   0.219381eV
 state = 2  pop.: 0.89074183   E-corr:   0.402574eV,    E-tot =   2.182029eV

 Natural weights *1000,  state = 1
v10a      C2: 103.7107   5.4251   0.0915   0.0193   0.0096   0.0017   0.0002
     8 - 14>   1.4E-08  6.4E-09  5.6E-09  7.6E-10  4.7E-10  3.9E-11  9.6E-12
v1        C3: 109.0987   0.0980   0.0565   0.0047   0.0002   0.0000   0.0000
     8 -  8>   1.1E-09
v2        C3: 106.2474   1.7651   1.1785   0.0625   0.0039   0.0008
v4        C3: 106.1629   1.2045   1.1488   0.5911   0.1485   0.0024
v16a      C3: 108.0780   0.9075   0.2563   0.0163
v19b      C2: 107.5401   0.9557   0.7246   0.0367   0.0007   0.0002   0.0001
v18a      C4: 105.7542   2.3238   0.8594   0.2741   0.0466
v20b      C4: 106.8103   2.3818   0.0660

 Mode expectation values and variances,  state = 1
v10a        : <q>=   0.0000  <dq>=   1.1332  <n>=   0.9725  <dn>=   0.2998
v6a         : <q>=   0.2340  <dq>=   0.6852  <n>=   0.0304  <dn>=   0.1729
v1          : <q>=  -0.1025  <dq>=   0.7017  <n>=   0.0562  <dn>=   0.2395
v9a         : <q>=   0.0208  <dq>=   0.7034  <n>=   0.0447  <dn>=   0.2130
v8a         : <q>=   0.0268  <dq>=   0.7045  <n>=   0.0022  <dn>=   0.0480
v2          : <q>=   0.0634  <dq>=   0.7085  <n>=   0.0031  <dn>=   0.0557
v6b         : <q>=   0.0000  <dq>=   0.7146  <n>=   0.0118  <dn>=   0.1095
v8b         : <q>=   0.0000  <dq>=   0.7828  <n>=   0.0483  <dn>=   0.2910
v4          : <q>=   0.0000  <dq>=   0.7363  <n>=   0.0180  <dn>=   0.1615
v5          : <q>=   0.0000  <dq>=   0.7117  <n>=   0.0091  <dn>=   0.1016
v3          : <q>=   0.0000  <dq>=   0.6608  <n>=   0.0324  <dn>=   0.2337
v16a        : <q>=   0.0000  <dq>=   0.7212  <n>=   0.0027  <dn>=   0.0545
v12         : <q>=   0.0000  <dq>=   0.7115  <n>=   0.0156  <dn>=   0.1562
v13         : <q>=   0.0000  <dq>=   0.7094  <n>=   0.0013  <dn>=   0.0376
v19b        : <q>=   0.0000  <dq>=   0.7045  <n>=   0.0216  <dn>=   0.1519
v18b        : <q>=   0.0000  <dq>=   0.7278  <n>=   0.0230  <dn>=   0.1577
v18a        : <q>=   0.0000  <dq>=   0.7031  <n>=   0.0024  <dn>=   0.0508
v14         : <q>=   0.0000  <dq>=   0.6834  <n>=   0.0334  <dn>=   0.2153
v19a        : <q>=   0.0000  <dq>=   0.7158  <n>=   0.0037  <dn>=   0.0784
v17a        : <q>=   0.0000  <dq>=   0.7142  <n>=   0.0097  <dn>=   0.1075
v20b        : <q>=   0.0000  <dq>=   0.7074  <n>=   0.0006  <dn>=   0.0249
v16b        : <q>=   0.0000  <dq>=   0.7147  <n>=   0.0047  <dn>=   0.0960
v11         : <q>=   0.0000  <dq>=   0.7245  <n>=   0.0219  <dn>=   0.1465
v7b         : <q>=   0.0000  <dq>=   0.7092  <n>=   0.0000  <dn>=   0.0081

 Natural weights *1000,  state = 2
v10a      C2: 889.2787   0.9315   0.4111   0.1178   0.0021   0.0004   0.0001
     8 - 11>   8.9E-08  3.3E-08  5.8E-10  4.4E-10
v1        C3: 889.7193   0.8162   0.2020   0.0035   0.0005   0.0002   0.0000
v2        C3: 882.4779   7.3494   0.6851   0.2277   0.0017
v4        C3: 883.1647   7.2423   0.2322   0.1026
v16a      C3: 890.2083   0.3674   0.0956   0.0538   0.0168
v19b      C2: 871.4306  18.1522   1.0583   0.0933   0.0064   0.0009   0.0001
v18a      C4: 871.9463  18.2787   0.2653   0.1547   0.0967
v20b      C4: 889.1273   1.1934   0.4186   0.0025

 Mode expectation values and variances,  state = 2
v10a        : <q>=   0.0000  <dq>=   0.6348  <n>=   0.0197  <dn>=   0.1965
v6a         : <q>=   0.0198  <dq>=   0.7059  <n>=   0.0834  <dn>=   0.2898
v1          : <q>=  -0.0960  <dq>=   0.7080  <n>=   0.1385  <dn>=   0.3720
v9a         : <q>=  -0.0341  <dq>=   0.7077  <n>=   0.0077  <dn>=   0.0878
v8a         : <q>=  -0.0196  <dq>=   0.7074  <n>=   0.0036  <dn>=   0.0598
v2          : <q>=   0.0192  <dq>=   0.7070  <n>=   0.0016  <dn>=   0.0402
v6b         : <q>=   0.0000  <dq>=   0.7086  <n>=   0.0009  <dn>=   0.0323
v8b         : <q>=   0.0000  <dq>=   0.7799  <n>=   0.0446  <dn>=   0.2913
v4          : <q>=   0.0000  <dq>=   0.7264  <n>=   0.0117  <dn>=   0.1507
v5          : <q>=   0.0000  <dq>=   0.7092  <n>=   0.0009  <dn>=   0.0315
v3          : <q>=   0.0000  <dq>=   0.6605  <n>=   0.0266  <dn>=   0.2152
v16a        : <q>=   0.0000  <dq>=   0.7097  <n>=   0.0021  <dn>=   0.0643
v12         : <q>=   0.0000  <dq>=   0.7151  <n>=   0.0010  <dn>=   0.0403
v13         : <q>=   0.0000  <dq>=   0.7062  <n>=   0.0001  <dn>=   0.0108
v19b        : <q>=   0.0000  <dq>=   0.7016  <n>=   0.0633  <dn>=   0.2677
v18b        : <q>=   0.0000  <dq>=   0.7190  <n>=   0.0460  <dn>=   0.2286
v18a        : <q>=   0.0000  <dq>=   0.7038  <n>=   0.0005  <dn>=   0.0259
v14         : <q>=   0.0000  <dq>=   0.6734  <n>=   0.0339  <dn>=   0.2200
v19a        : <q>=   0.0000  <dq>=   0.7156  <n>=   0.0006  <dn>=   0.0319
v17a        : <q>=   0.0000  <dq>=   0.7117  <n>=   0.0005  <dn>=   0.0276
v20b        : <q>=   0.0000  <dq>=   0.7067  <n>=   0.0013  <dn>=   0.0367
v16b        : <q>=   0.0000  <dq>=   0.7146  <n>=   0.0046  <dn>=   0.0956
v11         : <q>=   0.0000  <dq>=   0.7081  <n>=   0.0007  <dn>=   0.0298
v7b         : <q>=   0.0000  <dq>=   0.7077  <n>=   0.0000  <dn>=   0.0013
------------------------------------------------------------------------------
 
 Time  =       2.50 fs,       CPU =    4287.06 s,    Norm    = 1.00000000
 E-tot =   2.401410 eV,    E-corr =   0.377379eV,    Delta-E =    -0.0002 meV
 
 state = 1  pop.: 0.12031493   E-corr:  -0.016732eV,    E-tot =   0.241640eV
 state = 2  pop.: 0.87968507   E-corr:   0.394111eV,    E-tot =   2.159770eV

 Natural weights *1000,  state = 1
v10a      C2: 113.1282   6.7411   0.3576   0.0482   0.0343   0.0046   0.0008
     8 - 14>   6.9E-08  4.0E-08  2.8E-08  6.8E-09  2.4E-09  1.9E-10  5.5E-11
v1        C3: 119.8659   0.3327   0.1041   0.0114   0.0005   0.0002   0.0000
     8 -  8>   4.4E-09
v2        C3: 116.1099   2.6760   1.4053   0.1067   0.0152   0.0019
v4        C3: 115.8926   1.9126   1.4355   0.7351   0.3276   0.0115
v16a      C3: 118.8512   1.1168   0.3080   0.0389
v19b      C2: 117.5277   1.5327   1.1171   0.1339   0.0018   0.0014   0.0004
v18a      C4: 115.4653   3.3859   1.0325   0.3413   0.0899
v20b      C4: 117.2025   2.9572   0.1553

 Mode expectation values and variances,  state = 1
v10a        : <q>=   0.0000  <dq>=   1.0944  <n>=   0.9989  <dn>=   0.3978
v6a         : <q>=   0.3178  <dq>=   0.6725  <n>=   0.0580  <dn>=   0.2362
v1          : <q>=  -0.1876  <dq>=   0.6990  <n>=   0.0909  <dn>=   0.3067
v9a         : <q>=   0.0285  <dq>=   0.7012  <n>=   0.0726  <dn>=   0.2729
v8a         : <q>=   0.0008  <dq>=   0.7045  <n>=   0.0033  <dn>=   0.0588
v2          : <q>=   0.0718  <dq>=   0.7097  <n>=   0.0041  <dn>=   0.0643
v6b         : <q>=   0.0000  <dq>=   0.7152  <n>=   0.0135  <dn>=   0.1179
v8b         : <q>=   0.0000  <dq>=   0.8203  <n>=   0.0721  <dn>=   0.3626
v4          : <q>=   0.0000  <dq>=   0.7495  <n>=   0.0238  <dn>=   0.1912
v5          : <q>=   0.0000  <dq>=   0.7128  <n>=   0.0120  <dn>=   0.1192
v3          : <q>=   0.0000  <dq>=   0.6404  <n>=   0.0485  <dn>=   0.2864
v16a        : <q>=   0.0000  <dq>=   0.7291  <n>=   0.0034  <dn>=   0.0645
v12         : <q>=   0.0000  <dq>=   0.7112  <n>=   0.0220  <dn>=   0.1927
v13         : <q>=   0.0000  <dq>=   0.7112  <n>=   0.0020  <dn>=   0.0457
v19b        : <q>=   0.0000  <dq>=   0.7157  <n>=   0.0379  <dn>=   0.2024
v18b        : <q>=   0.0000  <dq>=   0.7440  <n>=   0.0371  <dn>=   0.2037
v18a        : <q>=   0.0000  <dq>=   0.7009  <n>=   0.0033  <dn>=   0.0605
v14         : <q>=   0.0000  <dq>=   0.6719  <n>=   0.0450  <dn>=   0.2523
v19a        : <q>=   0.0000  <dq>=   0.7204  <n>=   0.0057  <dn>=   0.0988
v17a        : <q>=   0.0000  <dq>=   0.7155  <n>=   0.0117  <dn>=   0.1220
v20b        : <q>=   0.0000  <dq>=   0.7085  <n>=   0.0013  <dn>=   0.0363
v16b        : <q>=   0.0000  <dq>=   0.7189  <n>=   0.0074  <dn>=   0.1199
v11         : <q>=   0.0000  <dq>=   0.7277  <n>=   0.0248  <dn>=   0.1558
v7b         : <q>=   0.0000  <dq>=   0.7104  <n>=   0.0001  <dn>=   0.0104

 Natural weights *1000,  state = 2
v10a      C2: 877.0236   1.5992   0.8842   0.1665   0.0084   0.0020   0.0006
     8 - 11>   5.3E-07  1.0E-07  3.1E-09  2.8E-09
v1        C3: 878.1013   1.2141   0.3599   0.0077   0.0011   0.0008   0.0002
v2        C3: 867.5595  10.8039   0.9095   0.4061   0.0060
v4        C3: 868.4751  10.6276   0.4058   0.1766
v16a      C3: 878.8443   0.5747   0.1274   0.0912   0.0475
v19b      C2: 853.1112  24.8253   1.4931   0.2369   0.0144   0.0039   0.0003
v18a      C4: 853.7356  25.1563   0.4032   0.2538   0.1363
v20b      C4: 877.4008   1.5577   0.7221   0.0044

 Mode expectation values and variances,  state = 2
v10a        : <q>=   0.0000  <dq>=   0.6298  <n>=   0.0341  <dn>=   0.2597
v6a         : <q>=   0.0313  <dq>=   0.7040  <n>=   0.1252  <dn>=   0.3566
v1          : <q>=  -0.1441  <dq>=   0.7085  <n>=   0.2134  <dn>=   0.4621
v9a         : <q>=  -0.0549  <dq>=   0.7079  <n>=   0.0126  <dn>=   0.1129
v8a         : <q>=  -0.0253  <dq>=   0.7082  <n>=   0.0054  <dn>=   0.0734
v2          : <q>=   0.0295  <dq>=   0.7076  <n>=   0.0022  <dn>=   0.0468
v6b         : <q>=   0.0000  <dq>=   0.7098  <n>=   0.0014  <dn>=   0.0400
v8b         : <q>=   0.0000  <dq>=   0.8169  <n>=   0.0685  <dn>=   0.3656
v4          : <q>=   0.0000  <dq>=   0.7369  <n>=   0.0181  <dn>=   0.1877
v5          : <q>=   0.0000  <dq>=   0.7106  <n>=   0.0015  <dn>=   0.0394
v3          : <q>=   0.0000  <dq>=   0.6397  <n>=   0.0385  <dn>=   0.2599
v16a        : <q>=   0.0000  <dq>=   0.7108  <n>=   0.0032  <dn>=   0.0793
v12         : <q>=   0.0000  <dq>=   0.7203  <n>=   0.0017  <dn>=   0.0524
v13         : <q>=   0.0000  <dq>=   0.7061  <n>=   0.0002  <dn>=   0.0126
v19b        : <q>=   0.0000  <dq>=   0.7043  <n>=   0.0914  <dn>=   0.3300
v18b        : <q>=   0.0000  <dq>=   0.7271  <n>=   0.0678  <dn>=   0.2847
v18a        : <q>=   0.0000  <dq>=   0.7024  <n>=   0.0008  <dn>=   0.0318
v14         : <q>=   0.0000  <dq>=   0.6583  <n>=   0.0482  <dn>=   0.2648
v19a        : <q>=   0.0000  <dq>=   0.7200  <n>=   0.0009  <dn>=   0.0394
v17a        : <q>=   0.0000  <dq>=   0.7145  <n>=   0.0007  <dn>=   0.0347
v20b        : <q>=   0.0000  <dq>=   0.7072  <n>=   0.0018  <dn>=   0.0422
v16b        : <q>=   0.0000  <dq>=   0.7187  <n>=   0.0072  <dn>=   0.1197
v11         : <q>=   0.0000  <dq>=   0.7090  <n>=   0.0012  <dn>=   0.0376
v7b         : <q>=   0.0000  <dq>=   0.7078  <n>=   0.0000  <dn>=   0.0015
------------------------------------------------------------------------------
 
 Time  =       3.00 fs,       CPU =    4743.10 s,    Norm    = 1.00000000
 E-tot =   2.401409 eV,    E-corr =   0.365691eV,    Delta-E =    -0.0006 meV
 
 state = 1  pop.: 0.11629699   E-corr:  -0.020801eV,    E-tot =   0.234432eV
 state = 2  pop.: 0.88370301   E-corr:   0.386492eV,    E-tot =   2.166977eV

 Natural weights *1000,  state = 1
v10a      C2: 107.4022   7.5624   1.1348   0.0954   0.0886   0.0106   0.0024
     8 - 14>   2.7E-07  1.9E-07  1.0E-07  3.5E-08  1.2E-08  6.5E-10  2.6E-10
v1        C3: 115.1112   1.0080   0.1537   0.0224   0.0011   0.0006   0.0001
     8 -  8>   1.7E-08
v2        C3: 111.1735   3.4107   1.5202   0.1508   0.0383   0.0035
v4        C3: 110.8011   2.5543   1.5462   0.8339   0.5231   0.0384
v16a      C3: 114.6436   1.2451   0.3347   0.0736
v19b      C2: 112.1662   2.3466   1.3587   0.4154   0.0048   0.0040   0.0013
v18a      C4: 110.1959   4.4477   1.1242   0.3874   0.1417
v20b      C4: 112.6731   3.3418   0.2821

 Mode expectation values and variances,  state = 1
v10a        : <q>=   0.0000  <dq>=   1.0562  <n>=   1.0540  <dn>=   0.5368
v6a         : <q>=   0.4168  <dq>=   0.6584  <n>=   0.1062  <dn>=   0.3136
v1          : <q>=  -0.2862  <dq>=   0.6966  <n>=   0.1381  <dn>=   0.3819
v9a         : <q>=   0.0365  <dq>=   0.6993  <n>=   0.1104  <dn>=   0.3390
v8a         : <q>=  -0.0290  <dq>=   0.7053  <n>=   0.0065  <dn>=   0.0814
v2          : <q>=   0.0808  <dq>=   0.7112  <n>=   0.0052  <dn>=   0.0729
v6b         : <q>=   0.0000  <dq>=   0.7163  <n>=   0.0163  <dn>=   0.1301
v8b         : <q>=   0.0000  <dq>=   0.8627  <n>=   0.1004  <dn>=   0.4357
v4          : <q>=   0.0000  <dq>=   0.7655  <n>=   0.0312  <dn>=   0.2238
v5          : <q>=   0.0000  <dq>=   0.7151  <n>=   0.0162  <dn>=   0.1411
v3          : <q>=   0.0000  <dq>=   0.6209  <n>=   0.0657  <dn>=   0.3341
v16a        : <q>=   0.0000  <dq>=   0.7395  <n>=   0.0047  <dn>=   0.0803
v12         : <q>=   0.0000  <dq>=   0.7112  <n>=   0.0314  <dn>=   0.2370
v13         : <q>=   0.0000  <dq>=   0.7143  <n>=   0.0029  <dn>=   0.0563
v19b        : <q>=   0.0000  <dq>=   0.7392  <n>=   0.0634  <dn>=   0.2646
v18b        : <q>=   0.0000  <dq>=   0.7698  <n>=   0.0600  <dn>=   0.2637
v18a        : <q>=   0.0000  <dq>=   0.6990  <n>=   0.0046  <dn>=   0.0739
v14         : <q>=   0.0000  <dq>=   0.6634  <n>=   0.0595  <dn>=   0.2894
v19a        : <q>=   0.0000  <dq>=   0.7265  <n>=   0.0086  <dn>=   0.1222
v17a        : <q>=   0.0000  <dq>=   0.7177  <n>=   0.0147  <dn>=   0.1406
v20b        : <q>=   0.0000  <dq>=   0.7104  <n>=   0.0025  <dn>=   0.0497
v16b        : <q>=   0.0000  <dq>=   0.7241  <n>=   0.0106  <dn>=   0.1440
v11         : <q>=   0.0000  <dq>=   0.7323  <n>=   0.0292  <dn>=   0.1687
v7b         : <q>=   0.0000  <dq>=   0.7119  <n>=   0.0001  <dn>=   0.0129

 Natural weights *1000,  state = 2
v10a      C2: 879.6971   2.1916   1.5582   0.2198   0.0253   0.0073   0.0021
     8 - 11>    0.0013   0.0003   0.0000   0.0000
v1        C3: 881.4496   1.6970   0.5347   0.0170   0.0030   0.0013   0.0004
v2        C3: 867.3736  14.6592   1.0729   0.5829   0.0144
v4        C3: 868.4609  14.4287   0.5698   0.2435
v16a      C3: 882.5460   0.7862   0.1476   0.1257   0.0974
v19b      C2: 850.4922  30.8428   1.8696   0.4629   0.0247   0.0101   0.0007
v18a      C4: 851.2615  31.3819   0.5613   0.3310   0.1673
v20b      C4: 880.8907   1.8108   0.9951   0.0064

 Mode expectation values and variances,  state = 2
v10a        : <q>=   0.0000  <dq>=   0.6334  <n>=   0.0466  <dn>=   0.3074
v6a         : <q>=   0.0498  <dq>=   0.7008  <n>=   0.1713  <dn>=   0.4200
v1          : <q>=  -0.2024  <dq>=   0.7086  <n>=   0.3000  <dn>=   0.5486
v9a         : <q>=  -0.0789  <dq>=   0.7079  <n>=   0.0193  <dn>=   0.1402
v8a         : <q>=  -0.0313  <dq>=   0.7092  <n>=   0.0071  <dn>=   0.0847
v2          : <q>=   0.0404  <dq>=   0.7085  <n>=   0.0027  <dn>=   0.0519
v6b         : <q>=   0.0000  <dq>=   0.7112  <n>=   0.0019  <dn>=   0.0465
v8b         : <q>=   0.0000  <dq>=   0.8592  <n>=   0.0966  <dn>=   0.4408
v4          : <q>=   0.0000  <dq>=   0.7496  <n>=   0.0256  <dn>=   0.2241
v5          : <q>=   0.0000  <dq>=   0.7124  <n>=   0.0021  <dn>=   0.0467
v3          : <q>=   0.0000  <dq>=   0.6193  <n>=   0.0506  <dn>=   0.2987
v16a        : <q>=   0.0000  <dq>=   0.7121  <n>=   0.0044  <dn>=   0.0932
v12         : <q>=   0.0000  <dq>=   0.7264  <n>=   0.0026  <dn>=   0.0655
v13         : <q>=   0.0000  <dq>=   0.7061  <n>=   0.0002  <dn>=   0.0135
v19b        : <q>=   0.0000  <dq>=   0.7121  <n>=   0.1187  <dn>=   0.3870
v18b        : <q>=   0.0000  <dq>=   0.7382  <n>=   0.0904  <dn>=   0.3388
v18a        : <q>=   0.0000  <dq>=   0.7008  <n>=   0.0010  <dn>=   0.0369
v14         : <q>=   0.0000  <dq>=   0.6432  <n>=   0.0613  <dn>=   0.3018
v19a        : <q>=   0.0000  <dq>=   0.7247  <n>=   0.0012  <dn>=   0.0467
v17a        : <q>=   0.0000  <dq>=   0.7179  <n>=   0.0010  <dn>=   0.0414
v20b        : <q>=   0.0000  <dq>=   0.7080  <n>=   0.0021  <dn>=   0.0454
v16b        : <q>=   0.0000  <dq>=   0.7238  <n>=   0.0103  <dn>=   0.1438
v11         : <q>=   0.0000  <dq>=   0.7102  <n>=   0.0016  <dn>=   0.0436
v7b         : <q>=   0.0000  <dq>=   0.7078  <n>=   0.0000  <dn>=   0.0017
------------------------------------------------------------------------------
 #####  23621 lines deleted  #####
------------------------------------------------------------------------------
 
 Time  =     147.00 fs,       CPU =  266981.13 s,    Norm    = 1.00000000
 E-tot =   2.401681 eV,    E-corr =  -0.523148eV,    Delta-E =     0.2708 meV
 
 state = 1  pop.: 0.69959195   E-corr:  -0.390217eV,    E-tot =   1.648694eV
 state = 2  pop.: 0.30040805   E-corr:  -0.132931eV,    E-tot =   0.752987eV

 Natural weights *1000,  state = 1
v10a      C2: 229.1373  97.9795  76.2634  55.5739  49.4186  37.6476  27.6015
     8 - 14>   22.8981  21.6201  20.0266  18.1932  15.8992  14.8047  12.5283
v1        C3: 294.6287 170.9711 117.6530  58.6947  25.6856  14.6926  10.9426
     8 -  8>    6.3237
v2        C3: 638.0273  21.6642  15.5989  12.8179   6.0451   5.4386
v4        C3: 627.9532  18.8188  17.7498  15.7312   9.8218   9.5171
v16a      C3: 618.2025  52.0253  16.3693  12.9948
v19b      C2: 396.1638 135.3053  71.6718  33.7516  30.4648  18.7683  13.4663
v18a      C4: 568.9557  87.1876  23.6330  10.6744   9.1412
v20b      C4: 614.5699  79.7717   5.2504

 Mode expectation values and variances,  state = 1
v10a        : <q>=   0.0008  <dq>=   2.1665  <n>=   2.8941  <dn>=   3.1500
v6a         : <q>=  -0.1162  <dq>=   1.5168  <n>=   3.2000  <dn>=   2.4558
v1          : <q>=  -2.0421  <dq>=   1.0423  <n>=   2.8963  <dn>=   2.2169
v9a         : <q>=  -1.1952  <dq>=   0.9807  <n>=   1.1903  <dn>=   1.3288
v8a         : <q>=   0.4650  <dq>=   0.7459  <n>=   0.1436  <dn>=   0.3961
v2          : <q>=   0.1258  <dq>=   0.7110  <n>=   0.0114  <dn>=   0.1070
v6b         : <q>=  -0.0002  <dq>=   0.8051  <n>=   0.0854  <dn>=   0.3582
v8b         : <q>=   0.0008  <dq>=   0.8919  <n>=   0.1234  <dn>=   0.5991
v4          : <q>=   0.0031  <dq>=   0.8770  <n>=   0.1476  <dn>=   0.5721
v5          : <q>=   0.0115  <dq>=   0.7698  <n>=   0.0350  <dn>=   0.2128
v3          : <q>=   0.0000  <dq>=   0.6553  <n>=   0.0522  <dn>=   0.2645
v16a        : <q>=   0.0010  <dq>=   0.7529  <n>=   0.0842  <dn>=   0.4608
v12         : <q>=   0.0136  <dq>=   1.1910  <n>=   0.3670  <dn>=   0.9751
v13         : <q>=  -0.0019  <dq>=   0.7124  <n>=   0.0034  <dn>=   0.0583
v19b        : <q>=  -0.0053  <dq>=   0.8395  <n>=   0.2455  <dn>=   0.5880
v18b        : <q>=   0.0001  <dq>=   1.0728  <n>=   0.6299  <dn>=   1.0294
v18a        : <q>=   0.0028  <dq>=   0.7214  <n>=   0.0121  <dn>=   0.1183
v14         : <q>=  -0.0027  <dq>=   0.7389  <n>=   0.2147  <dn>=   0.5485
v19a        : <q>=  -0.0058  <dq>=   0.7628  <n>=   0.0118  <dn>=   0.1415
v17a        : <q>=  -0.0016  <dq>=   0.7883  <n>=   0.0322  <dn>=   0.2285
v20b        : <q>=   0.0003  <dq>=   0.7175  <n>=   0.0076  <dn>=   0.0880
v16b        : <q>=  -0.0051  <dq>=   1.7590  <n>=   1.1207  <dn>=   2.1688
v11         : <q>=  -0.0008  <dq>=   0.7619  <n>=   0.1203  <dn>=   0.3483
v7b         : <q>=  -0.0080  <dq>=   0.7091  <n>=   0.0001  <dn>=   0.0118

 Natural weights *1000,  state = 2
v10a      C2: 146.5825  49.5072  28.8257  21.4046  13.7778   9.2085   8.2279
     8 - 11>    7.5562   6.1833   5.1066   4.0277
v1        C3: 194.6208  44.6967  25.0188  13.6389  11.8330   5.9748   4.6252
v2        C3: 283.2505   6.1134   5.2325   3.7890   2.0226
v4        C3: 277.4608  14.6327   4.6498   3.6648
v16a      C3: 263.1479  18.3216  11.6573   4.2534   3.0279
v19b      C2: 100.8085  71.4335  69.6043  21.9678  14.8700  12.2844   9.4394
v18a      C4: 137.5074  76.4084  66.5048  13.6680   6.3195
v20b      C4: 272.2042  13.2642  10.5768   4.3628

 Mode expectation values and variances,  state = 2
v10a        : <q>=   0.0162  <dq>=   1.8879  <n>=   1.8785  <dn>=   3.3578
v6a         : <q>=   2.1830  <dq>=   1.4542  <n>=   4.4213  <dn>=   2.8202
v1          : <q>=  -2.4323  <dq>=   0.9192  <n>=   3.4067  <dn>=   2.1697
v9a         : <q>=  -0.6578  <dq>=   0.9158  <n>=   0.5058  <dn>=   0.9231
v8a         : <q>=   0.1314  <dq>=   0.7808  <n>=   0.0694  <dn>=   0.2788
v2          : <q>=   0.0755  <dq>=   0.7126  <n>=   0.0071  <dn>=   0.0849
v6b         : <q>=  -0.0005  <dq>=   0.7091  <n>=   0.0754  <dn>=   0.3615
v8b         : <q>=  -0.0039  <dq>=   0.8658  <n>=   0.0890  <dn>=   0.5540
v4          : <q>=  -0.0098  <dq>=   1.0106  <n>=   0.2085  <dn>=   0.7787
v5          : <q>=  -0.0095  <dq>=   0.7054  <n>=   0.0110  <dn>=   0.1367
v3          : <q>=   0.0011  <dq>=   0.6534  <n>=   0.0280  <dn>=   0.2059
v16a        : <q>=   0.0470  <dq>=   1.0867  <n>=   0.3176  <dn>=   1.0860
v12         : <q>=  -0.0097  <dq>=   0.8581  <n>=   0.1089  <dn>=   0.4996
v13         : <q>=   0.0053  <dq>=   0.7073  <n>=   0.0018  <dn>=   0.0433
v19b        : <q>=  -0.0657  <dq>=   5.0208  <n>=  12.5010  <dn>=  16.8071
v18b        : <q>=   0.0848  <dq>=   5.9865  <n>=  17.8860  <dn>=  23.2619
v18a        : <q>=   0.0101  <dq>=   0.7022  <n>=   0.0050  <dn>=   0.0836
v14         : <q>=  -0.0073  <dq>=   1.7195  <n>=   1.4182  <dn>=   1.6679
v19a        : <q>=  -0.0257  <dq>=   0.7485  <n>=   0.0071  <dn>=   0.1065
v17a        : <q>=  -0.0108  <dq>=   0.7210  <n>=   0.0098  <dn>=   0.1335
v20b        : <q>=   0.0039  <dq>=   0.7568  <n>=   0.0386  <dn>=   0.2018
v16b        : <q>=   0.0121  <dq>=   1.8202  <n>=   1.2281  <dn>=   2.3391
v11         : <q>=   0.0018  <dq>=   0.7550  <n>=   0.0615  <dn>=   0.2614
v7b         : <q>=   0.0188  <dq>=   0.7102  <n>=   0.0009  <dn>=   0.0314
------------------------------------------------------------------------------
 
 Time  =     147.50 fs,       CPU =  267870.75 s,    Norm    = 1.00000000
 E-tot =   2.401682 eV,    E-corr =  -0.515121eV,    Delta-E =     0.2716 meV
 
 state = 1  pop.: 0.69389528   E-corr:  -0.388276eV,    E-tot =   1.634878eV
 state = 2  pop.: 0.30610472   E-corr:  -0.126845eV,    E-tot =   0.766804eV

 Natural weights *1000,  state = 1
v10a      C2: 226.7115  96.9327  75.8987  54.7187  48.9392  37.2671  27.3121
     8 - 14>   22.9431  21.7830  20.0582  18.0374  15.8657  14.8772  12.5508
v1        C3: 291.8452 169.6996 116.9159  57.9708  25.5445  14.6540  10.9412
     8 -  8>    6.3240
v2        C3: 634.9846  21.4320  13.3953  12.6206   6.0340   5.4288
v4        C3: 624.7850  18.6763  17.6639  13.4293   9.8318   9.5091
v16a      C3: 612.4993  52.1530  16.3001  12.9429
v19b      C2: 392.5938 134.8051  70.7121  33.3925  30.1588  18.7353  13.4977
v18a      C4: 564.5310  86.0194  23.6189  10.7010   9.0250
v20b      C4: 609.3840  79.3515   5.1598

 Mode expectation values and variances,  state = 1
v10a        : <q>=   0.0000  <dq>=   2.1516  <n>=   2.8702  <dn>=   3.1217
v6a         : <q>=  -0.0467  <dq>=   1.5340  <n>=   3.1671  <dn>=   2.4375
v1          : <q>=  -2.0904  <dq>=   1.0499  <n>=   2.9118  <dn>=   2.2292
v9a         : <q>=  -1.1963  <dq>=   0.9790  <n>=   1.1898  <dn>=   1.3369
v8a         : <q>=   0.4658  <dq>=   0.7471  <n>=   0.1451  <dn>=   0.3982
v2          : <q>=   0.1263  <dq>=   0.7108  <n>=   0.0114  <dn>=   0.1070
v6b         : <q>=   0.0001  <dq>=   0.7996  <n>=   0.0844  <dn>=   0.3555
v8b         : <q>=   0.0007  <dq>=   0.8777  <n>=   0.1127  <dn>=   0.5941
v4          : <q>=   0.0029  <dq>=   0.8934  <n>=   0.1554  <dn>=   0.5884
v5          : <q>=   0.0113  <dq>=   0.7711  <n>=   0.0354  <dn>=   0.2147
v3          : <q>=   0.0000  <dq>=   0.6552  <n>=   0.0484  <dn>=   0.2560
v16a        : <q>=   0.0020  <dq>=   0.7556  <n>=   0.0837  <dn>=   0.4590
v12         : <q>=   0.0136  <dq>=   1.1861  <n>=   0.3637  <dn>=   0.9665
v13         : <q>=  -0.0014  <dq>=   0.7125  <n>=   0.0033  <dn>=   0.0574
v19b        : <q>=  -0.0064  <dq>=   0.8406  <n>=   0.2480  <dn>=   0.5925
v18b        : <q>=  -0.0002  <dq>=   1.0706  <n>=   0.6308  <dn>=   1.0309
v18a        : <q>=   0.0029  <dq>=   0.7216  <n>=   0.0122  <dn>=   0.1192
v14         : <q>=  -0.0033  <dq>=   0.7432  <n>=   0.2129  <dn>=   0.5414
v19a        : <q>=  -0.0055  <dq>=   0.7607  <n>=   0.0114  <dn>=   0.1385
v17a        : <q>=  -0.0006  <dq>=   0.7861  <n>=   0.0318  <dn>=   0.2266
v20b        : <q>=   0.0004  <dq>=   0.7140  <n>=   0.0075  <dn>=   0.0872
v16b        : <q>=  -0.0037  <dq>=   1.7671  <n>=   1.1325  <dn>=   2.1859
v11         : <q>=  -0.0007  <dq>=   0.7677  <n>=   0.1208  <dn>=   0.3497
v7b         : <q>=  -0.0031  <dq>=   0.7091  <n>=   0.0001  <dn>=   0.0117

 Natural weights *1000,  state = 2
v10a      C2: 146.8422  52.4115  29.9643  22.1060  13.4130   9.2644   8.5172
     8 - 11>    7.8547   6.5377   5.1280   4.0658
v1        C3: 199.1513  45.3074  25.4704  13.4848  11.9752   6.1130   4.6025
v2        C3: 289.1044   6.2204   5.2544   3.5059   2.0196
v4        C3: 283.2383  14.8403   4.2952   3.7309
v16a      C3: 268.7677  18.1760  11.7523   4.3006   3.1081
v19b      C2: 104.2511  71.6247  69.8769  22.7986  15.4704  12.5468   9.5363
v18a      C4: 141.8711  77.1253  67.2131  13.6874   6.2080
v20b      C4: 276.8405  13.7647  10.9856   4.5140

 Mode expectation values and variances,  state = 2
v10a        : <q>=   0.0132  <dq>=   1.8825  <n>=   1.8669  <dn>=   3.3201
v6a         : <q>=   2.1609  <dq>=   1.4207  <n>=   4.3572  <dn>=   2.7989
v1          : <q>=  -2.4797  <dq>=   0.9181  <n>=   3.4587  <dn>=   2.1816
v9a         : <q>=  -0.6619  <dq>=   0.9130  <n>=   0.5057  <dn>=   0.9280
v8a         : <q>=   0.1334  <dq>=   0.7829  <n>=   0.0713  <dn>=   0.2831
v2          : <q>=   0.0785  <dq>=   0.7107  <n>=   0.0069  <dn>=   0.0831
v6b         : <q>=  -0.0011  <dq>=   0.7035  <n>=   0.0741  <dn>=   0.3577
v8b         : <q>=  -0.0038  <dq>=   0.8503  <n>=   0.0786  <dn>=   0.5473
v4          : <q>=  -0.0096  <dq>=   1.0097  <n>=   0.2063  <dn>=   0.7792
v5          : <q>=  -0.0067  <dq>=   0.7117  <n>=   0.0111  <dn>=   0.1373
v3          : <q>=   0.0007  <dq>=   0.6547  <n>=   0.0257  <dn>=   0.1965
v16a        : <q>=   0.0428  <dq>=   1.0809  <n>=   0.3106  <dn>=   1.0737
v12         : <q>=  -0.0079  <dq>=   0.8595  <n>=   0.1084  <dn>=   0.4976
v13         : <q>=   0.0042  <dq>=   0.7076  <n>=   0.0019  <dn>=   0.0437
v19b        : <q>=  -0.0644  <dq>=   4.9484  <n>=  12.1360  <dn>=  16.6228
v18b        : <q>=   0.0848  <dq>=   5.9290  <n>=  17.5394  <dn>=  23.0623
v18a        : <q>=   0.0111  <dq>=   0.7053  <n>=   0.0048  <dn>=   0.0811
v14         : <q>=  -0.0045  <dq>=   1.6824  <n>=   1.3540  <dn>=   1.6117
v19a        : <q>=  -0.0226  <dq>=   0.7474  <n>=   0.0068  <dn>=   0.1038
v17a        : <q>=  -0.0143  <dq>=   0.7210  <n>=   0.0097  <dn>=   0.1303
v20b        : <q>=   0.0037  <dq>=   0.7598  <n>=   0.0401  <dn>=   0.2076
v16b        : <q>=   0.0086  <dq>=   1.8298  <n>=   1.2432  <dn>=   2.3606
v11         : <q>=   0.0015  <dq>=   0.7574  <n>=   0.0617  <dn>=   0.2618
v7b         : <q>=   0.0069  <dq>=   0.7099  <n>=   0.0009  <dn>=   0.0312
------------------------------------------------------------------------------
 
 Time  =     148.00 fs,       CPU =  268757.94 s,    Norm    = 1.00000000
 E-tot =   2.401682 eV,    E-corr =  -0.507558eV,    Delta-E =     0.2721 meV
 
 state = 1  pop.: 0.68813102   E-corr:  -0.386471eV,    E-tot =   1.620915eV
 state = 2  pop.: 0.31186898   E-corr:  -0.121087eV,    E-tot =   0.780767eV

 Natural weights *1000,  state = 1
v10a      C2: 224.4597  95.9842  75.2271  53.7297  48.4403  37.2041  26.9913
     8 - 14>   22.9821  21.9109  20.0079  17.8621  15.8133  14.9384  12.5798
v1        C3: 288.9905 168.1994 116.4716  57.0924  25.4824  14.6309  10.9528
     8 -  8>    6.3111
v2        C3: 631.2924  21.2724  12.4815  11.6025   6.0475   5.4347
v4        C3: 620.9955  18.5335  17.5914  11.6744   9.8522   9.4841
v16a      C3: 606.7693  52.2941  16.1997  12.8679
v19b      C2: 388.9538 134.4062  69.7256  32.9447  29.8437  18.7183  13.5387
v18a      C4: 560.1331  84.7521  23.6216  10.7249   8.8994
v20b      C4: 604.0624  78.9972   5.0714

 Mode expectation values and variances,  state = 1
v10a        : <q>=   0.0023  <dq>=   2.1368  <n>=   2.8469  <dn>=   3.0945
v6a         : <q>=   0.0202  <dq>=   1.5537  <n>=   3.1358  <dn>=   2.4229
v1          : <q>=  -2.1249  <dq>=   1.0582  <n>=   2.9204  <dn>=   2.2397
v9a         : <q>=  -1.1953  <dq>=   0.9782  <n>=   1.1869  <dn>=   1.3449
v8a         : <q>=   0.4636  <dq>=   0.7476  <n>=   0.1457  <dn>=   0.3989
v2          : <q>=   0.1225  <dq>=   0.7100  <n>=   0.0110  <dn>=   0.1053
v6b         : <q>=   0.0003  <dq>=   0.7942  <n>=   0.0835  <dn>=   0.3530
v8b         : <q>=   0.0007  <dq>=   0.8675  <n>=   0.1051  <dn>=   0.5934
v4          : <q>=   0.0030  <dq>=   0.9100  <n>=   0.1633  <dn>=   0.6048
v5          : <q>=   0.0108  <dq>=   0.7736  <n>=   0.0360  <dn>=   0.2176
v3          : <q>=   0.0001  <dq>=   0.6554  <n>=   0.0455  <dn>=   0.2493
v16a        : <q>=   0.0025  <dq>=   0.7580  <n>=   0.0834  <dn>=   0.4577
v12         : <q>=   0.0142  <dq>=   1.1806  <n>=   0.3599  <dn>=   0.9580
v13         : <q>=  -0.0005  <dq>=   0.7130  <n>=   0.0032  <dn>=   0.0566
v19b        : <q>=  -0.0077  <dq>=   0.8418  <n>=   0.2513  <dn>=   0.5979
v18b        : <q>=  -0.0001  <dq>=   1.0680  <n>=   0.6316  <dn>=   1.0323
v18a        : <q>=   0.0032  <dq>=   0.7226  <n>=   0.0123  <dn>=   0.1206
v14         : <q>=  -0.0039  <dq>=   0.7476  <n>=   0.2109  <dn>=   0.5351
v19a        : <q>=  -0.0050  <dq>=   0.7593  <n>=   0.0112  <dn>=   0.1365
v17a        : <q>=  -0.0002  <dq>=   0.7836  <n>=   0.0313  <dn>=   0.2242
v20b        : <q>=   0.0004  <dq>=   0.7107  <n>=   0.0074  <dn>=   0.0865
v16b        : <q>=  -0.0017  <dq>=   1.7746  <n>=   1.1435  <dn>=   2.2020
v11         : <q>=  -0.0004  <dq>=   0.7747  <n>=   0.1213  <dn>=   0.3512
v7b         : <q>=   0.0029  <dq>=   0.7094  <n>=   0.0001  <dn>=   0.0119

 Natural weights *1000,  state = 2
v10a      C2: 147.0004  55.3759  31.1188  22.7453  13.3542   9.7510   8.5680
     8 - 11>    8.0820   6.5669   5.2285   4.0780
v1        C3: 203.6358  46.1390  25.8834  13.3897  12.0042   6.3405   4.4762
v2        C3: 294.9107   6.3123   5.3140   3.3241   2.0078
v4        C3: 289.0222  14.9670   4.0773   3.8024
v16a      C3: 274.5218  17.9753  11.7633   4.3598   3.2488
v19b      C2: 107.7829  71.8849  69.8579  23.6076  16.1478  12.8867   9.7011
v18a      C4: 147.0584  77.6229  67.2191  13.8581   6.1105
v20b      C4: 281.4791  14.1394  11.6050   4.6456

 Mode expectation values and variances,  state = 2
v10a        : <q>=   0.0035  <dq>=   1.8761  <n>=   1.8543  <dn>=   3.2805
v6a         : <q>=   2.1401  <dq>=   1.3869  <n>=   4.2952  <dn>=   2.7750
v1          : <q>=  -2.5117  <dq>=   0.9163  <n>=   3.4961  <dn>=   2.1854
v9a         : <q>=  -0.6644  <dq>=   0.9095  <n>=   0.5051  <dn>=   0.9302
v8a         : <q>=   0.1330  <dq>=   0.7839  <n>=   0.0727  <dn>=   0.2857
v2          : <q>=   0.0798  <dq>=   0.7092  <n>=   0.0067  <dn>=   0.0821
v6b         : <q>=  -0.0015  <dq>=   0.6989  <n>=   0.0727  <dn>=   0.3534
v8b         : <q>=  -0.0036  <dq>=   0.8397  <n>=   0.0716  <dn>=   0.5486
v4          : <q>=  -0.0100  <dq>=   1.0100  <n>=   0.2053  <dn>=   0.7816
v5          : <q>=  -0.0035  <dq>=   0.7168  <n>=   0.0112  <dn>=   0.1373
v3          : <q>=   0.0003  <dq>=   0.6541  <n>=   0.0245  <dn>=   0.1930
v16a        : <q>=   0.0401  <dq>=   1.0751  <n>=   0.3036  <dn>=   1.0611
v12         : <q>=  -0.0073  <dq>=   0.8603  <n>=   0.1075  <dn>=   0.4930
v13         : <q>=   0.0023  <dq>=   0.7082  <n>=   0.0019  <dn>=   0.0445
v19b        : <q>=  -0.0626  <dq>=   4.8753  <n>=  11.7769  <dn>=  16.4021
v18b        : <q>=   0.0832  <dq>=   5.8703  <n>=  17.1891  <dn>=  22.8247
v18a        : <q>=   0.0116  <dq>=   0.7079  <n>=   0.0045  <dn>=   0.0784
v14         : <q>=  -0.0022  <dq>=   1.6478  <n>=   1.2939  <dn>=   1.5596
v19a        : <q>=  -0.0196  <dq>=   0.7445  <n>=   0.0062  <dn>=   0.0992
v17a        : <q>=  -0.0162  <dq>=   0.7232  <n>=   0.0098  <dn>=   0.1298
v20b        : <q>=   0.0035  <dq>=   0.7612  <n>=   0.0419  <dn>=   0.2129
v16b        : <q>=   0.0039  <dq>=   1.8394  <n>=   1.2586  <dn>=   2.3819
v11         : <q>=   0.0008  <dq>=   0.7588  <n>=   0.0616  <dn>=   0.2621
v7b         : <q>=  -0.0070  <dq>=   0.7090  <n>=   0.0009  <dn>=   0.0312
------------------------------------------------------------------------------
 
 Time  =     148.50 fs,       CPU =  269645.76 s,    Norm    = 1.00000000
 E-tot =   2.401682 eV,    E-corr =  -0.500190eV,    Delta-E =     0.2723 meV
 
 state = 1  pop.: 0.68216023   E-corr:  -0.384662eV,    E-tot =   1.606516eV
 state = 2  pop.: 0.31783977   E-corr:  -0.115528eV,    E-tot =   0.795166eV

 Natural weights *1000,  state = 1
v10a      C2: 222.1800  95.2197  74.4686  52.7208  47.8544  37.0417  26.6776
     8 - 14>   22.9412  22.0067  19.9297  17.7080  15.7931  14.9933  12.6252
v1        C3: 286.0060 166.3041 116.3200  56.1093  25.5003  14.6259  10.9868
     8 -  8>    6.3080
v2        C3: 626.6250  21.1644  12.3950  10.4384   6.0846   5.4528
v4        C3: 616.3286  18.4042  17.5225  10.5979   9.8664   9.4407
v16a      C3: 600.8495  52.4193  16.0867  12.8048
v19b      C2: 385.2250 133.7666  68.8698  32.4508  29.5365  18.7175  13.5941
v18a      C4: 555.2870  83.6110  23.7342  10.7529   8.7751
v20b      C4: 598.5723  78.5986   4.9893

 Mode expectation values and variances,  state = 1
v10a        : <q>=   0.0034  <dq>=   2.1238  <n>=   2.8282  <dn>=   3.0691
v6a         : <q>=   0.0824  <dq>=   1.5741  <n>=   3.1023  <dn>=   2.4113
v1          : <q>=  -2.1447  <dq>=   1.0670  <n>=   2.9214  <dn>=   2.2476
v9a         : <q>=  -1.1932  <dq>=   0.9785  <n>=   1.1829  <dn>=   1.3530
v8a         : <q>=   0.4585  <dq>=   0.7476  <n>=   0.1454  <dn>=   0.3984
v2          : <q>=   0.1152  <dq>=   0.7090  <n>=   0.0103  <dn>=   0.1019
v6b         : <q>=   0.0004  <dq>=   0.7889  <n>=   0.0829  <dn>=   0.3512
v8b         : <q>=   0.0006  <dq>=   0.8619  <n>=   0.1007  <dn>=   0.5969
v4          : <q>=   0.0032  <dq>=   0.9269  <n>=   0.1713  <dn>=   0.6213
v5          : <q>=   0.0105  <dq>=   0.7772  <n>=   0.0369  <dn>=   0.2216
v3          : <q>=   0.0001  <dq>=   0.6552  <n>=   0.0438  <dn>=   0.2465
v16a        : <q>=   0.0022  <dq>=   0.7604  <n>=   0.0833  <dn>=   0.4572
v12         : <q>=   0.0152  <dq>=   1.1746  <n>=   0.3556  <dn>=   0.9496
v13         : <q>=   0.0008  <dq>=   0.7137  <n>=   0.0031  <dn>=   0.0557
v19b        : <q>=  -0.0088  <dq>=   0.8431  <n>=   0.2550  <dn>=   0.6036
v18b        : <q>=   0.0007  <dq>=   1.0652  <n>=   0.6318  <dn>=   1.0335
v18a        : <q>=   0.0036  <dq>=   0.7247  <n>=   0.0126  <dn>=   0.1226
v14         : <q>=  -0.0038  <dq>=   0.7521  <n>=   0.2095  <dn>=   0.5311
v19a        : <q>=  -0.0041  <dq>=   0.7582  <n>=   0.0110  <dn>=   0.1351
v17a        : <q>=  -0.0009  <dq>=   0.7811  <n>=   0.0309  <dn>=   0.2215
v20b        : <q>=   0.0004  <dq>=   0.7088  <n>=   0.0073  <dn>=   0.0860
v16b        : <q>=   0.0006  <dq>=   1.7817  <n>=   1.1539  <dn>=   2.2175
v11         : <q>=   0.0001  <dq>=   0.7823  <n>=   0.1217  <dn>=   0.3525
v7b         : <q>=   0.0072  <dq>=   0.7099  <n>=   0.0001  <dn>=   0.0123

 Natural weights *1000,  state = 2
v10a      C2: 147.0509  58.4725  32.3393  23.2720  13.6718  10.3289   8.7841
     8 - 11>    8.0158   6.4550   5.3089   4.1407
v1        C3: 208.0280  47.5620  26.0353  13.4924  11.8412   6.5585   4.3223
v2        C3: 300.8449   6.3601   5.3956   3.2432   1.9959
v4        C3: 294.9511  15.0233   4.0717   3.7937
v16a      C3: 280.5005  17.7779  11.7614   4.4119   3.3881
v19b      C2: 111.2945  72.0277  69.7953  24.7585  16.7621  13.2712   9.9305
v18a      C4: 153.3298  78.1337  66.3648  14.0795   5.9320
v20b      C4: 286.2102  14.4904  12.4077   4.7314

 Mode expectation values and variances,  state = 2
v10a        : <q>=  -0.0026  <dq>=   1.8659  <n>=   1.8331  <dn>=   3.2362
v6a         : <q>=   2.1240  <dq>=   1.3518  <n>=   4.2440  <dn>=   2.7469
v1          : <q>=  -2.5288  <dq>=   0.9132  <n>=   3.5197  <dn>=   2.1831
v9a         : <q>=  -0.6639  <dq>=   0.9040  <n>=   0.5018  <dn>=   0.9269
v8a         : <q>=   0.1304  <dq>=   0.7831  <n>=   0.0736  <dn>=   0.2862
v2          : <q>=   0.0786  <dq>=   0.7084  <n>=   0.0066  <dn>=   0.0816
v6b         : <q>=  -0.0019  <dq>=   0.6956  <n>=   0.0709  <dn>=   0.3480
v8b         : <q>=  -0.0033  <dq>=   0.8337  <n>=   0.0675  <dn>=   0.5564
v4          : <q>=  -0.0106  <dq>=   1.0110  <n>=   0.2050  <dn>=   0.7854
v5          : <q>=  -0.0008  <dq>=   0.7210  <n>=   0.0112  <dn>=   0.1364
v3          : <q>=   0.0000  <dq>=   0.6526  <n>=   0.0241  <dn>=   0.1934
v16a        : <q>=   0.0389  <dq>=   1.0687  <n>=   0.2962  <dn>=   1.0478
v12         : <q>=  -0.0077  <dq>=   0.8609  <n>=   0.1067  <dn>=   0.4867
v13         : <q>=  -0.0005  <dq>=   0.7091  <n>=   0.0020  <dn>=   0.0454
v19b        : <q>=  -0.0609  <dq>=   4.8009  <n>=  11.4213  <dn>=  16.1457
v18b        : <q>=   0.0799  <dq>=   5.8100  <n>=  16.8331  <dn>=  22.5586
v18a        : <q>=   0.0117  <dq>=   0.7094  <n>=   0.0042  <dn>=   0.0756
v14         : <q>=  -0.0016  <dq>=   1.6152  <n>=   1.2362  <dn>=   1.5130
v19a        : <q>=  -0.0170  <dq>=   0.7409  <n>=   0.0056  <dn>=   0.0937
v17a        : <q>=  -0.0156  <dq>=   0.7266  <n>=   0.0101  <dn>=   0.1311
v20b        : <q>=   0.0035  <dq>=   0.7613  <n>=   0.0438  <dn>=   0.2170
v16b        : <q>=  -0.0011  <dq>=   1.8486  <n>=   1.2734  <dn>=   2.4022
v11         : <q>=  -0.0002  <dq>=   0.7599  <n>=   0.0616  <dn>=   0.2627
v7b         : <q>=  -0.0163  <dq>=   0.7079  <n>=   0.0009  <dn>=   0.0311
------------------------------------------------------------------------------
 
 Time  =     149.00 fs,       CPU =  270529.19 s,    Norm    = 1.00000000
 E-tot =   2.401683 eV,    E-corr =  -0.492813eV,    Delta-E =     0.2727 meV
 
 state = 1  pop.: 0.67562970   E-corr:  -0.382727eV,    E-tot =   1.590749eV
 state = 2  pop.: 0.32437030   E-corr:  -0.110086eV,    E-tot =   0.810934eV

 Natural weights *1000,  state = 1
v10a      C2: 219.3920  94.5938  73.7679  51.8251  47.1587  36.5614  26.3958
     8 - 14>   22.8398  22.0685  19.8729  17.6015  15.7966  15.0662  12.6893
v1        C3: 282.7719 163.9989 116.1747  55.1236  25.5623  14.6339  11.0340
     8 -  8>    6.3305
v2        C3: 620.6110  21.1147  12.3963   9.9098   6.1260   5.4719
v4        C3: 610.4249  18.3089  17.4337  10.2210   9.8569   9.3843
v16a      C3: 594.3852  52.4759  15.9829  12.7858
v19b      C2: 381.0686 132.8685  68.0412  32.0235  29.2471  18.7269  13.6539
v18a      C4: 549.6886  82.5890  23.9104  10.7810   8.6607
v20b      C4: 592.6432  78.0700   4.9164

 Mode expectation values and variances,  state = 1
v10a        : <q>=   0.0014  <dq>=   2.1129  <n>=   2.8155  <dn>=   3.0477
v6a         : <q>=   0.1380  <dq>=   1.5942  <n>=   3.0658  <dn>=   2.4031
v1          : <q>=  -2.1494  <dq>=   1.0756  <n>=   2.9141  <dn>=   2.2517
v9a         : <q>=  -1.1902  <dq>=   0.9797  <n>=   1.1782  <dn>=   1.3609
v8a         : <q>=   0.4506  <dq>=   0.7473  <n>=   0.1441  <dn>=   0.3967
v2          : <q>=   0.1057  <dq>=   0.7081  <n>=   0.0094  <dn>=   0.0974
v6b         : <q>=   0.0007  <dq>=   0.7838  <n>=   0.0826  <dn>=   0.3502
v8b         : <q>=   0.0005  <dq>=   0.8613  <n>=   0.0998  <dn>=   0.6049
v4          : <q>=   0.0034  <dq>=   0.9439  <n>=   0.1795  <dn>=   0.6377
v5          : <q>=   0.0108  <dq>=   0.7812  <n>=   0.0379  <dn>=   0.2262
v3          : <q>=   0.0000  <dq>=   0.6541  <n>=   0.0436  <dn>=   0.2484
v16a        : <q>=   0.0013  <dq>=   0.7631  <n>=   0.0836  <dn>=   0.4575
v12         : <q>=   0.0165  <dq>=   1.1677  <n>=   0.3507  <dn>=   0.9408
v13         : <q>=   0.0021  <dq>=   0.7144  <n>=   0.0030  <dn>=   0.0550
v19b        : <q>=  -0.0092  <dq>=   0.8447  <n>=   0.2592  <dn>=   0.6093
v18b        : <q>=   0.0017  <dq>=   1.0628  <n>=   0.6315  <dn>=   1.0340
v18a        : <q>=   0.0040  <dq>=   0.7277  <n>=   0.0129  <dn>=   0.1250
v14         : <q>=  -0.0030  <dq>=   0.7567  <n>=   0.2087  <dn>=   0.5292
v19a        : <q>=  -0.0027  <dq>=   0.7573  <n>=   0.0108  <dn>=   0.1338
v17a        : <q>=  -0.0024  <dq>=   0.7789  <n>=   0.0306  <dn>=   0.2190
v20b        : <q>=   0.0003  <dq>=   0.7085  <n>=   0.0073  <dn>=   0.0858
v16b        : <q>=   0.0028  <dq>=   1.7886  <n>=   1.1642  <dn>=   2.2329
v11         : <q>=   0.0005  <dq>=   0.7901  <n>=   0.1220  <dn>=   0.3536
v7b         : <q>=   0.0077  <dq>=   0.7104  <n>=   0.0001  <dn>=   0.0129

 Natural weights *1000,  state = 2
v10a      C2: 147.0308  62.1375  33.6383  23.6694  14.0779  10.9145   9.0726
     8 - 11>    7.9775   6.2902   5.2750   4.2866
v1        C3: 212.5600  49.6233  25.9406  13.8318  11.5362   6.7017   4.1768
v2        C3: 307.2127   6.3713   5.4959   3.2920   1.9984
v4        C3: 301.2427  15.1152   4.1872   3.8252
v16a      C3: 286.9812  17.6392  11.8308   4.4361   3.4831
v19b      C2: 115.0363  72.2111  69.6276  26.2521  17.2735  13.7210  10.2487
v18a      C4: 160.7430  78.1787  65.3474  14.3838   5.7174
v20b      C4: 291.4024  14.9030  13.3087   4.7562

 Mode expectation values and variances,  state = 2
v10a        : <q>=  -0.0020  <dq>=   1.8522  <n>=   1.8030  <dn>=   3.1840
v6a         : <q>=   2.1133  <dq>=   1.3161  <n>=   4.2041  <dn>=   2.7151
v1          : <q>=  -2.5312  <dq>=   0.9104  <n>=   3.5296  <dn>=   2.1773
v9a         : <q>=  -0.6600  <dq>=   0.8968  <n>=   0.4954  <dn>=   0.9191
v8a         : <q>=   0.1257  <dq>=   0.7809  <n>=   0.0739  <dn>=   0.2850
v2          : <q>=   0.0735  <dq>=   0.7080  <n>=   0.0065  <dn>=   0.0809
v6b         : <q>=  -0.0023  <dq>=   0.6938  <n>=   0.0687  <dn>=   0.3416
v8b         : <q>=  -0.0029  <dq>=   0.8318  <n>=   0.0662  <dn>=   0.5685
v4          : <q>=  -0.0112  <dq>=   1.0125  <n>=   0.2056  <dn>=   0.7905
v5          : <q>=   0.0005  <dq>=   0.7252  <n>=   0.0112  <dn>=   0.1359
v3          : <q>=  -0.0001  <dq>=   0.6508  <n>=   0.0243  <dn>=   0.1965
v16a        : <q>=   0.0392  <dq>=   1.0612  <n>=   0.2880  <dn>=   1.0333
v12         : <q>=  -0.0087  <dq>=   0.8623  <n>=   0.1064  <dn>=   0.4819
v13         : <q>=  -0.0031  <dq>=   0.7101  <n>=   0.0021  <dn>=   0.0461
v19b        : <q>=  -0.0601  <dq>=   4.7229  <n>=  11.0589  <dn>=  15.8522
v18b        : <q>=   0.0758  <dq>=   5.7453  <n>=  16.4570  <dn>=  22.2676
v18a        : <q>=   0.0115  <dq>=   0.7100  <n>=   0.0040  <dn>=   0.0730
v14         : <q>=  -0.0027  <dq>=   1.5835  <n>=   1.1804  <dn>=   1.4721
v19a        : <q>=  -0.0149  <dq>=   0.7377  <n>=   0.0051  <dn>=   0.0891
v17a        : <q>=  -0.0133  <dq>=   0.7305  <n>=   0.0104  <dn>=   0.1330
v20b        : <q>=   0.0037  <dq>=   0.7608  <n>=   0.0454  <dn>=   0.2195
v16b        : <q>=  -0.0056  <dq>=   1.8571  <n>=   1.2868  <dn>=   2.4203
v11         : <q>=  -0.0011  <dq>=   0.7615  <n>=   0.0617  <dn>=   0.2642
v7b         : <q>=  -0.0170  <dq>=   0.7073  <n>=   0.0009  <dn>=   0.0310
------------------------------------------------------------------------------
 
 Time  =     149.50 fs,       CPU =  271411.89 s,    Norm    = 1.00000000
 E-tot =   2.401683 eV,    E-corr =  -0.485531eV,    Delta-E =     0.2731 meV
 
 state = 1  pop.: 0.66829167   E-corr:  -0.380708eV,    E-tot =   1.572828eV
 state = 2  pop.: 0.33170833   E-corr:  -0.104823eV,    E-tot =   0.828855eV

 Natural weights *1000,  state = 1
v10a      C2: 215.7487  94.1166  72.9979  51.0614  46.3761  35.8955  26.1356
     8 - 14>   22.7741  22.1097  19.8495  17.5369  15.7804  15.1544  12.7549
v1        C3: 279.2053 161.5212 115.6771  54.1538  25.6493  14.6422  11.0674
     8 -  8>    6.3755
v2        C3: 613.1283  21.1131  12.4095  10.0211   6.1385   5.4812
v4        C3: 603.0962  18.2476  17.3200  10.3349   9.9640   9.3290
v16a      C3: 587.1976  52.3739  15.9013  12.8189
v19b      C2: 376.0764 132.0083  67.0240  31.7550  28.9833  18.7434  13.7013
v18a      C4: 543.4207  81.4856  24.0230  10.8020   8.5604
v20b      C4: 586.0286  77.4100   4.8531

 Mode expectation values and variances,  state = 1
v10a        : <q>=  -0.0010  <dq>=   2.1032  <n>=   2.8073  <dn>=   3.0294
v6a         : <q>=   0.1872  <dq>=   1.6144  <n>=   3.0286  <dn>=   2.3991
v1          : <q>=  -2.1392  <dq>=   1.0830  <n>=   2.8984  <dn>=   2.2513
v9a         : <q>=  -1.1857  <dq>=   0.9814  <n>=   1.1722  <dn>=   1.3673
v8a         : <q>=   0.4403  <dq>=   0.7461  <n>=   0.1420  <dn>=   0.3934
v2          : <q>=   0.0954  <dq>=   0.7079  <n>=   0.0085  <dn>=   0.0923
v6b         : <q>=   0.0008  <dq>=   0.7790  <n>=   0.0825  <dn>=   0.3496
v8b         : <q>=   0.0004  <dq>=   0.8657  <n>=   0.1025  <dn>=   0.6173
v4          : <q>=   0.0035  <dq>=   0.9606  <n>=   0.1875  <dn>=   0.6539
v5          : <q>=   0.0117  <dq>=   0.7853  <n>=   0.0390  <dn>=   0.2309
v3          : <q>=  -0.0001  <dq>=   0.6523  <n>=   0.0449  <dn>=   0.2545
v16a        : <q>=   0.0000  <dq>=   0.7659  <n>=   0.0841  <dn>=   0.4582
v12         : <q>=   0.0178  <dq>=   1.1601  <n>=   0.3453  <dn>=   0.9315
v13         : <q>=   0.0025  <dq>=   0.7147  <n>=   0.0029  <dn>=   0.0545
v19b        : <q>=  -0.0090  <dq>=   0.8469  <n>=   0.2639  <dn>=   0.6149
v18b        : <q>=   0.0023  <dq>=   1.0614  <n>=   0.6315  <dn>=   1.0344
v18a        : <q>=   0.0045  <dq>=   0.7311  <n>=   0.0132  <dn>=   0.1274
v14         : <q>=  -0.0018  <dq>=   0.7617  <n>=   0.2080  <dn>=   0.5288
v19a        : <q>=  -0.0012  <dq>=   0.7562  <n>=   0.0106  <dn>=   0.1322
v17a        : <q>=  -0.0040  <dq>=   0.7775  <n>=   0.0303  <dn>=   0.2172
v20b        : <q>=   0.0003  <dq>=   0.7100  <n>=   0.0073  <dn>=   0.0860
v16b        : <q>=   0.0046  <dq>=   1.7955  <n>=   1.1746  <dn>=   2.2485
v11         : <q>=   0.0009  <dq>=   0.7976  <n>=   0.1223  <dn>=   0.3545
v7b         : <q>=   0.0040  <dq>=   0.7108  <n>=   0.0002  <dn>=   0.0135

 Natural weights *1000,  state = 2
v10a      C2: 146.9778  66.7520  35.0067  23.9896  14.3728  11.4602   9.3621
     8 - 11>    8.1056   6.0533   5.2645   4.3638
v1        C3: 217.4178  52.0276  25.7664  14.3304  11.2908   6.8280   4.0473
v2        C3: 314.1571   6.3814   5.6492   3.4899   2.0307
v4        C3: 308.0038  15.3305   4.3206   4.0533
v16a      C3: 294.1247  17.5763  12.0398   4.4283   3.5392
v19b      C2: 119.5360  72.3096  69.3395  27.7793  17.8447  14.2454  10.6538
v18a      C4: 168.8306  78.0971  64.3508  14.7796   5.6503
v20b      C4: 297.4157  15.3836  14.1850   4.7241

 Mode expectation values and variances,  state = 2
v10a        : <q>=  -0.0004  <dq>=   1.8387  <n>=   1.7709  <dn>=   3.1305
v6a         : <q>=   2.1059  <dq>=   1.2822  <n>=   4.1694  <dn>=   2.6812
v1          : <q>=  -2.5181  <dq>=   0.9098  <n>=   3.5253  <dn>=   2.1696
v9a         : <q>=  -0.6550  <dq>=   0.8902  <n>=   0.4880  <dn>=   0.9119
v8a         : <q>=   0.1191  <dq>=   0.7782  <n>=   0.0739  <dn>=   0.2833
v2          : <q>=   0.0636  <dq>=   0.7076  <n>=   0.0063  <dn>=   0.0793
v6b         : <q>=  -0.0026  <dq>=   0.6932  <n>=   0.0666  <dn>=   0.3352
v8b         : <q>=  -0.0026  <dq>=   0.8341  <n>=   0.0677  <dn>=   0.5833
v4          : <q>=  -0.0116  <dq>=   1.0150  <n>=   0.2072  <dn>=   0.7971
v5          : <q>=   0.0002  <dq>=   0.7303  <n>=   0.0114  <dn>=   0.1367
v3          : <q>=  -0.0004  <dq>=   0.6488  <n>=   0.0255  <dn>=   0.2023
v16a        : <q>=   0.0401  <dq>=   1.0528  <n>=   0.2794  <dn>=   1.0177
v12         : <q>=  -0.0094  <dq>=   0.8648  <n>=   0.1067  <dn>=   0.4805
v13         : <q>=  -0.0038  <dq>=   0.7108  <n>=   0.0021  <dn>=   0.0465
v19b        : <q>=  -0.0601  <dq>=   4.6406  <n>=  10.6852  <dn>=  15.5231
v18b        : <q>=   0.0721  <dq>=   5.6750  <n>=  16.0541  <dn>=  21.9601
v18a        : <q>=   0.0107  <dq>=   0.7104  <n>=   0.0038  <dn>=   0.0712
v14         : <q>=  -0.0047  <dq>=   1.5523  <n>=   1.1278  <dn>=   1.4371
v19a        : <q>=  -0.0129  <dq>=   0.7356  <n>=   0.0049  <dn>=   0.0869
v17a        : <q>=  -0.0108  <dq>=   0.7341  <n>=   0.0107  <dn>=   0.1348
v20b        : <q>=   0.0036  <dq>=   0.7605  <n>=   0.0466  <dn>=   0.2203
v16b        : <q>=  -0.0091  <dq>=   1.8644  <n>=   1.2982  <dn>=   2.4354
v11         : <q>=  -0.0019  <dq>=   0.7643  <n>=   0.0621  <dn>=   0.2664
v7b         : <q>=  -0.0091  <dq>=   0.7072  <n>=   0.0009  <dn>=   0.0305
------------------------------------------------------------------------------
 
 Time  =     150.00 fs,       CPU =  272307.71 s,    Norm    = 1.00000000
 E-tot =   2.401684 eV,    E-corr =  -0.478609eV,    Delta-E =     0.2737 meV
 
 state = 1  pop.: 0.66041267   E-corr:  -0.378740eV,    E-tot =   1.553449eV
 state = 2  pop.: 0.33958733   E-corr:  -0.099869eV,    E-tot =   0.848234eV

 Natural weights *1000,  state = 1
v10a      C2: 211.3997  93.6585  72.1131  50.3985  45.5445  35.3442  25.8962
     8 - 14>   22.7683  22.1543  19.8794  17.4938  15.7529  15.2038  12.8055
v1        C3: 275.3731 159.2029 114.7252  53.2065  25.7902  14.6203  11.0632
     8 -  8>    6.4313
v2        C3: 604.5666  21.1477  12.3818  10.7198   6.1154   5.4813
v4        C3: 594.6546  18.2131  17.2060  10.9833  10.0815   9.2742
v16a      C3: 579.6287  52.0604  15.8359  12.8877
v19b      C2: 370.2012 131.4614  65.8473  31.6331  28.7777  18.7639  13.7282
v18a      C4: 536.8845  80.2232  24.0171  10.8103   8.4776
v20b      C4: 578.9123  76.6995   4.8009

 Mode expectation values and variances,  state = 1
v10a        : <q>=  -0.0020  <dq>=   2.0944  <n>=   2.8019  <dn>=   3.0114
v6a         : <q>=   0.2310  <dq>=   1.6357  <n>=   2.9944  <dn>=   2.4000
v1          : <q>=  -2.1143  <dq>=   1.0884  <n>=   2.8742  <dn>=   2.2459
v9a         : <q>=  -1.1786  <dq>=   0.9831  <n>=   1.1635  <dn>=   1.3711
v8a         : <q>=   0.4277  <dq>=   0.7440  <n>=   0.1389  <dn>=   0.3885
v2          : <q>=   0.0856  <dq>=   0.7082  <n>=   0.0076  <dn>=   0.0873
v6b         : <q>=   0.0009  <dq>=   0.7745  <n>=   0.0825  <dn>=   0.3491
v8b         : <q>=   0.0003  <dq>=   0.8747  <n>=   0.1086  <dn>=   0.6336
v4          : <q>=   0.0037  <dq>=   0.9765  <n>=   0.1952  <dn>=   0.6697
v5          : <q>=   0.0130  <dq>=   0.7892  <n>=   0.0401  <dn>=   0.2354
v3          : <q>=   0.0000  <dq>=   0.6501  <n>=   0.0474  <dn>=   0.2632
v16a        : <q>=  -0.0013  <dq>=   0.7684  <n>=   0.0844  <dn>=   0.4587
v12         : <q>=   0.0187  <dq>=   1.1518  <n>=   0.3393  <dn>=   0.9216
v13         : <q>=   0.0018  <dq>=   0.7147  <n>=   0.0029  <dn>=   0.0542
v19b        : <q>=  -0.0084  <dq>=   0.8495  <n>=   0.2692  <dn>=   0.6204
v18b        : <q>=   0.0023  <dq>=   1.0615  <n>=   0.6321  <dn>=   1.0346
v18a        : <q>=   0.0052  <dq>=   0.7345  <n>=   0.0135  <dn>=   0.1297
v14         : <q>=  -0.0008  <dq>=   0.7663  <n>=   0.2071  <dn>=   0.5295
v19a        : <q>=   0.0005  <dq>=   0.7550  <n>=   0.0104  <dn>=   0.1302
v17a        : <q>=  -0.0051  <dq>=   0.7769  <n>=   0.0303  <dn>=   0.2162
v20b        : <q>=   0.0005  <dq>=   0.7130  <n>=   0.0074  <dn>=   0.0865
v16b        : <q>=   0.0057  <dq>=   1.8025  <n>=   1.1853  <dn>=   2.2645
v11         : <q>=   0.0013  <dq>=   0.8043  <n>=   0.1225  <dn>=   0.3553
v7b         : <q>=  -0.0023  <dq>=   0.7110  <n>=   0.0002  <dn>=   0.0141

 Natural weights *1000,  state = 2
v10a      C2: 146.8984  72.3188  36.2912  24.3032  14.6795  11.7406   9.5477
     8 - 11>    8.3346   5.8035   5.3991   4.2707
v1        C3: 222.5016  54.4228  25.6410  14.8878  11.1328   7.0460   3.9554
v2        C3: 321.3658   6.4176   5.8978   3.8102   2.0958
v4        C3: 314.9778  15.6384   4.5812   4.3899
v16a      C3: 301.6332  17.5867  12.3812   4.4087   3.5774
v19b      C2: 124.9713  72.2931  68.8508  29.0021  18.5954  14.8640  11.0106
v18a      C4: 177.0052  78.2030  63.4120  15.1383   5.8289
v20b      C4: 304.1649  15.8457  14.9176   4.6591

 Mode expectation values and variances,  state = 2
v10a        : <q>=  -0.0015  <dq>=   1.8265  <n>=   1.7407  <dn>=   3.0837
v6a         : <q>=   2.1007  <dq>=   1.2508  <n>=   4.1341  <dn>=   2.6472
v1          : <q>=  -2.4900  <dq>=   0.9121  <n>=   3.5077  <dn>=   2.1609
v9a         : <q>=  -0.6505  <dq>=   0.8859  <n>=   0.4818  <dn>=   0.9094
v8a         : <q>=   0.1104  <dq>=   0.7758  <n>=   0.0737  <dn>=   0.2821
v2          : <q>=   0.0494  <dq>=   0.7078  <n>=   0.0058  <dn>=   0.0765
v6b         : <q>=  -0.0027  <dq>=   0.6939  <n>=   0.0649  <dn>=   0.3299
v8b         : <q>=  -0.0024  <dq>=   0.8407  <n>=   0.0722  <dn>=   0.6004
v4          : <q>=  -0.0119  <dq>=   1.0192  <n>=   0.2101  <dn>=   0.8053
v5          : <q>=  -0.0009  <dq>=   0.7363  <n>=   0.0119  <dn>=   0.1391
v3          : <q>=  -0.0008  <dq>=   0.6464  <n>=   0.0276  <dn>=   0.2110
v16a        : <q>=   0.0407  <dq>=   1.0442  <n>=   0.2713  <dn>=   1.0019
v12         : <q>=  -0.0094  <dq>=   0.8677  <n>=   0.1075  <dn>=   0.4818
v13         : <q>=  -0.0025  <dq>=   0.7109  <n>=   0.0021  <dn>=   0.0465
v19b        : <q>=  -0.0601  <dq>=   4.5567  <n>=  10.3119  <dn>=  15.1669
v18b        : <q>=   0.0696  <dq>=   5.6021  <n>=  15.6416  <dn>=  21.6517
v18a        : <q>=   0.0097  <dq>=   0.7113  <n>=   0.0036  <dn>=   0.0704
v14         : <q>=  -0.0066  <dq>=   1.5224  <n>=   1.0800  <dn>=   1.4083
v19a        : <q>=  -0.0107  <dq>=   0.7347  <n>=   0.0049  <dn>=   0.0873
v17a        : <q>=  -0.0093  <dq>=   0.7368  <n>=   0.0110  <dn>=   0.1361
v20b        : <q>=   0.0032  <dq>=   0.7606  <n>=   0.0471  <dn>=   0.2196
v16b        : <q>=  -0.0109  <dq>=   1.8704  <n>=   1.3073  <dn>=   2.4476
v11         : <q>=  -0.0026  <dq>=   0.7686  <n>=   0.0625  <dn>=   0.2688
v7b         : <q>=   0.0034  <dq>=   0.7076  <n>=   0.0008  <dn>=   0.0298
------------------------------------------------------------------------------
 
Propagation was successful.
 
Total time     [h:m:s] :   75 : 39 : 40.04
 
 ---------------------------------------------------------------------------
 ------ Host: "cauchy" ----------Mon May  3 19:22:23 2010
               
 /worka/dieter/pyr24+IB/standard/p24+
