! 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  -2.9594519963   1.2658003363   2.0585427082
S    1.3392070182  -1.9936276093   1.0554355939
O    2.1160153589   1.7186098405   1.6428062759
O    1.5752453570  -3.4198874395   1.1138789427
O    1.1835398078  -1.2362493200   2.2851267935
O    0.6191742644   1.2157672854   0.0569913077
O    0.5700134469  -2.6673237742  -1.7136613091
O   -4.4065078436   1.8175080675  -2.6932962062
N   -0.0741565390  -1.6956050227   0.2330723444
N   -1.2498397140  -1.3302522553  -1.7369136722
N   -2.8292220164   0.2368947031  -2.2195895961
N   -2.1539211270  -0.1003190779   0.0154595842
C    2.6231347858  -1.2439677758   0.0932534975
C    2.7353271930   0.1454413512   0.0332417152
C    3.5602625132  -2.0675329543  -0.5092645280
C    3.8110814835   0.6978277262  -0.6453348806
C    4.6249352486  -1.4993300819  -1.1919392880
C    4.7493136690  -0.1217256320  -1.2582582948
C    1.6940396420   1.0694117594   0.5818786521
C   -0.1952945816  -1.9479948148  -1.1069896103
C    1.1926732856   2.6343045385   2.2728661387
C   -2.1086972221  -0.3559614938  -1.2794037322
C    1.8729869267   3.2083890476   3.4868623089
C   -3.6500511218   1.1883380390  -1.8208538625
C   -3.7519738872   1.5859787598  -0.4789311891
C   -2.9539009512   0.8871801309   0.3833372174
C   -4.3129301662   1.4659212784  -4.0752052791
H    3.4744954977  -3.1424464734  -0.4481779510
H    3.9151726052   1.7728348967  -0.7076297158
H   -0.7297802033  -1.0163554902   0.6459894804
H    5.3561708031  -2.1384745711  -1.6660948837
H    5.5797002411   0.3238141160  -1.7882265829
H   -1.3001453235  -1.5145988401  -2.7305116730
H    0.2857467701   2.0918003834   2.5467458727
H    0.9204964783   3.4181524841   1.5649366953
H    2.7679137252   3.7701341282   3.2199943630
H    1.1857647741   3.8931748660   3.9828405996
H    2.1450738706   2.4331876600   4.2029651605
H   -4.4093098249   2.3821470748  -0.1652889366
H   -3.3114221840   1.6446542539  -4.4638627398
H   -5.0188943632   2.1123068269  -4.5877373951
H   -4.5884181580   0.4256791734  -4.2422009098
*