! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl   4.9404152575   2.5240207765   2.0076591288
O   -2.4221240221  -0.3135604266  -1.9173765137
N   -1.1268766615  -2.6745965366  -0.7080812131
N   -0.8984763808  -2.7681943380  -2.0227736114
N    0.8297345846  -3.6097176788  -0.8728524398
C   -2.3126726089  -0.4982013205  -0.5206630553
C   -3.5359124637   0.2143303465   0.1248001833
C   -1.0862639907   0.2676401419   0.0601778318
C   -3.0948930742   1.6796237908   0.0564576050
C   -1.6231098633   1.6610169470   0.4668437851
C   -2.2940130287  -1.9946593896  -0.1861754924
C    0.1161605307   0.3701807147  -0.8884957250
C   -3.7120390400  -0.1905946126   1.5927654222
C   -4.8503127391  -0.0339276903  -0.6048228684
C    1.3292882557   0.9157846530  -0.1880456988
C   -0.0863500492  -3.1677957075  -0.0403798268
C    1.7260090912   2.2410779217  -0.3371975374
C    2.0822598691   0.0983533226   0.6533796288
C    2.8322543654   2.7456265912   0.3333898234
C    3.1912200377   0.5800330813   1.3299531824
C    0.2855725073  -3.3299237784  -2.0685267174
C    3.5557561113   1.9076055182   1.1644293082
H   -0.7550533718  -0.2634664818   0.9591034876
H   -3.7063521807   2.3197646974   0.6957541603
H   -3.2023387458   2.0546883253  -0.9638844081
H   -1.0670230041   2.4691339994  -0.0107874421
H   -1.5156245568   1.8129424667   1.5417626184
H   -3.1824276450  -2.4889229380  -0.5818449638
H   -2.2787754352  -2.1518454348   0.8893502016
H   -0.1367865424   1.0121828216  -1.7343763901
H    0.3782775236  -0.6027982010  -1.3089979146
H   -4.1024691771  -1.2043912780   1.6970074825
H   -2.7900345797  -0.1317450975   2.1737066448
H   -4.4336632814   0.4747979283   2.0698064706
H   -4.8280079550   0.3132204390  -1.6365320717
H   -5.1230475352  -1.0921193118  -0.6101123842
H   -5.6584646640   0.4991924564  -0.0989625045
H   -1.8045143835  -0.9087232522  -2.3647830153
H   -0.0456260431  -3.2041532208   1.0367190702
H    1.1700668143   2.8990231333  -0.9935917864
H    1.8060855047  -0.9415686297   0.7839632291
H    3.1232081924   3.7788262773   0.2016665932
H    3.7628366416  -0.0739008863   1.9742440203
H    0.7678945592  -3.5541323870  -3.0067560993
*