! 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  -4.4661893931  -0.0807909975  -0.6286843511
O    1.3039156144   0.3187221427   0.2441470918
O    4.2795622059  -1.4428206215   0.8145885167
O    3.6210488243   0.6100412034   1.4107494770
C    2.2135724817  -0.7244407336  -0.0251431707
C   -0.0160640620   0.1501015311   0.0079876080
C   -0.8232600462   1.2426153447   0.3603564397
C   -0.5827393361  -0.9984369307  -0.5303164528
C    2.5908145906  -0.7876963378  -1.5002979210
C   -2.1910609605   1.1486098414   0.1562442167
C   -0.2152335745   2.4781531480   0.9496186902
C   -1.9560527573  -1.0761242029  -0.7276769432
C   -2.7502564981  -0.0012219203  -0.3843476829
C    3.4339154186  -0.4233579947   0.8222525328
H    1.8124495195  -1.6895632527   0.3049796166
H    3.0505795696   0.1457389202  -1.8255270881
H    1.7133180834  -0.9679457635  -2.1200911955
H    3.2902828334  -1.6010290090  -1.6850295298
H    0.0179050717  -1.8528203089  -0.8099896027
H   -2.8236853976   1.9845160550   0.4260104861
H    0.3345272503   2.2595492632   1.8662558311
H    0.4880115076   2.9506009444   0.2619565632
H   -0.9846603308   3.2095555632   1.1905841400
H   -2.3843434032  -1.9745193147  -1.1500540714
H    5.0679725169  -1.2278826983   1.3362057774
*
