! 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  -1.7187864448  -0.2937941772   3.2788545040
Cl   4.0038370250   1.5363987241  -3.7735421655
Cl  -3.9305016794   3.5603209831   0.2641116926
S    1.7663925927  -2.6238691857   1.2992899325
N   -1.8552838189  -2.0836753814  -0.0941797852
N    0.3172397925  -0.4569630092   1.0510582170
N   -1.5377596808  -1.8361845487  -1.3670647150
N   -3.6419809843  -1.1838937766  -0.9336843374
C   -0.8919166507  -2.6339431100   0.8154449100
C    2.9980731581  -1.2964614919   1.4319455169
C    0.2922266799  -1.7162021203   1.0343930895
C    3.2439963604  -0.5899350151   0.1324019022
C    2.9680818570   0.7658160285  -0.0022533085
C    3.7652182387  -1.2765029192  -0.9603519604
C   -0.7470752599   0.4067760256   0.8551325400
C    3.2027936118   1.4294065708  -1.1976760509
C    4.0028894206  -0.6316362344  -2.1635180289
C   -3.1038840483  -1.6826006032   0.1494160376
C   -1.7198132377   0.6470699253   1.8267330852
C   -0.7852924865   1.1839651343  -0.3033161648
C    3.7160870795   0.7207332845  -2.2707967435
C   -2.6989176009   1.6126397968   1.6582216247
C   -1.7617082001   2.1418489102  -0.4979298962
C   -2.7110691321   2.3522069663   0.4895959326
C   -2.6364035948  -1.2949592870  -1.8222460292
H   -0.5568831269  -3.6002666741   0.4377474006
H   -1.3825058895  -2.8215467753   1.7714868398
H    3.8983187729  -1.8090918316   1.7755996404
H    2.6951186711  -0.6058874901   2.2172566683
H    2.5604577618   1.3193347848   0.8326879421
H    3.9892805958  -2.3334135932  -0.8820164709
H    2.9798104404   2.4838611281  -1.2859593216
H    4.4073106445  -1.1792714576  -3.0035702640
H   -3.5781007950  -1.7912920876   1.1121369225
H   -0.0283898016   1.0277522380  -1.0598993627
H   -3.4402418555   1.7757667241   2.4280672748
H   -1.7712569862   2.7223122588  -1.4098293382
H   -2.7217046590  -0.9730046814  -2.8478653543
*