! 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   0.6724524282   2.1457821839   1.1409622384
Cl   4.8850437258  -0.2866501369  -0.9954513875
O   -1.4639476204  -1.7216452565   0.2474429559
O   -1.4830314919   0.2303513773   1.3133966619
N   -1.4631119332   1.5671239386  -1.3468500541
N   -2.0814563979   2.5911661029  -0.7528146036
N   -0.4360071871   3.3330923120  -2.0875802156
C   -1.0603795596  -0.3833806782   0.1413940261
C   -1.6062979688  -2.0528008495   1.6334529001
C   -1.2755531359  -0.7313389629   2.3329918037
C   -3.0165669705  -2.5425564250   1.9045593630
C   -1.8055057345   0.1991904070  -1.0637648988
C    0.4571457661  -0.3138497153  -0.0636295220
C   -3.4400995313  -3.7589161644   1.0875032302
C    1.2740748866   0.7504110708   0.3156862705
C    1.0656573722  -1.3627051041  -0.7519079725
C   -2.6112477213  -5.0057336477   1.3622174058
C    2.6356663174   0.7597172510   0.0389004971
C    2.4161711806  -1.3742796755  -1.0493130425
C   -0.4829860276   2.0251645435  -2.1277393123
C    3.1940214896  -0.3041574030  -0.6433344825
C   -1.4314891582   3.6195270457  -1.2278117117
H   -0.8714988038  -2.8197073645   1.8934921861
H   -1.9387840092  -0.5050638135   3.1670282456
H   -0.2422324863  -0.7093540241   2.6950952334
H   -3.7165346042  -1.7192685777   1.7302522911
H   -3.0804419353  -2.7830329696   2.9703545814
H   -2.8789547558   0.1399723317  -0.8887435667
H   -1.5753932254  -0.3984492313  -1.9449344856
H   -3.4084723661  -3.5199160109   0.0218195981
H   -4.4878038295  -3.9704932239   1.3139167714
H    0.4687791665  -2.2048653712  -1.0724294983
H   -2.6243070330  -5.2635448413   2.4231448058
H   -3.0007766636  -5.8630914863   0.8120968830
H   -1.5678154017  -4.8839407012   1.0671114518
H    3.2456872351   1.5954521762   0.3519966081
H    2.8474238591  -2.2067886214  -1.5867527939
H    0.1455466530   1.3784108569  -2.7198995534
H   -1.6933302760   4.6275639118  -0.9471242326
*