! 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   4.8489318688   4.7786332882  -0.3476239415
O   -0.9458608597  -1.4519765646   1.4164751987
N   -1.2678043136  -3.3919513464  -0.7144927691
N   -2.2800844790  -3.5752067344  -1.5678442892
N   -2.3346288330  -5.1282907766   0.0488688185
C   -0.9232645789  -1.0604620406   0.0589402880
C   -2.2939323996  -0.5184564591  -0.4697170153
C    0.0426746717   0.1354013331  -0.0677756680
C   -2.0886869120   0.9999902621  -0.6576362505
C   -0.8537707787   1.3460426645   0.1616323932
C   -3.5342904733  -0.8893840260   0.3684417688
C   -0.4058569643  -2.2328682478  -0.7861851625
C    1.2876323652   0.0653057103   0.8180949139
C   -3.7285284243  -0.0577508026   1.6365488875
C   -4.7860462796  -0.7959157005  -0.4991104929
C    2.2067426255   1.2236353772   0.5532795154
C   -1.3209288296  -4.3177625581   0.2445441508
C    2.1763840340   2.3601193566   1.3565754193
C    3.0789317731   1.2102541858  -0.5324848501
C    2.9831341349   3.4566267459   1.0895272594
C    3.8952689088   2.2947533137  -0.8165959532
C   -2.8853431377  -4.6228716641  -1.0700635247
C    3.8367802436   3.4136120108  -0.0005733466
H   -2.4589814096  -0.9658682277  -1.4521455475
H    0.3741014833   0.1683984432  -1.1141315532
H   -2.9632461488   1.5913915455  -0.3848739817
H   -1.8896824249   1.2149919382  -1.7099364115
H   -0.3889704050   2.2822512260  -0.1494804478
H   -1.0980245091   1.4414457713   1.2244165270
H   -3.4574772622  -1.9462743226   0.6608706037
H    0.5857479979  -2.5359960386  -0.4468505534
H   -0.3217024614  -1.9480822425  -1.8333598828
H    1.8236357165  -0.8707057022   0.6366053530
H    0.9985095835   0.0670629956   1.8698888775
H   -1.7609894045  -1.9250995388   1.6106373681
H   -3.9688762882   0.9801056791   1.3993513207
H   -4.5640617221  -0.4505566958   2.2181866891
H   -2.8549438211  -0.0493333642   2.2865772527
H   -4.7247551181  -1.4711822112  -1.3539070375
H   -4.9336666027   0.2166537723  -0.8817411204
H   -5.6781638645  -1.0626806201   0.0701484367
H   -0.5969052054  -4.3830645000   1.0409924863
H    1.5100224769   2.3967177890   2.2097807980
H    3.1286187459   0.3371854893  -1.1723818447
H    2.9432518021   4.3301607697   1.7260670114
H    4.5679853536   2.2641757919  -1.6629354136
H   -3.7573960476  -5.0471926591  -1.5424396294
*