! 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  -5.6484919649  -0.7146372660  -2.1851595375
S    1.5676765161  -0.6302019239   1.8844370058
O    2.6976892469   2.2566755800  -0.7177033979
O    1.8481130616  -1.5735248489   2.9453861627
O    1.6216692975   0.7943507899   2.1599020525
O    0.7705557111   1.1182625948  -0.7641568804
O    0.3159917677  -3.0601959740   0.7876947858
O   -2.8597704950   2.3573216864   0.5972045402
N    0.0176193899  -0.8768870690   1.3330218634
N   -1.5808986387  -2.0439648713   0.1118438515
N   -2.2089271879   0.1786534676   0.3855984502
N   -3.4752716728  -1.3244615151  -0.9198017676
C    2.6392085825  -0.9875934758   0.5174411456
C    2.8165681836  -0.0585903844  -0.5097972384
C    3.3787493487  -2.1585919047   0.5597968334
C    3.7571353997  -0.3268414067  -1.4936808996
C    4.2967367559  -2.4220706277  -0.4458326066
C    4.4866204645  -1.5074110829  -1.4671158640
C    1.9711509960   1.1632022240  -0.6581445860
C   -0.3639638832  -2.0559449818   0.7526640091
C    2.0132768007   3.5120664042  -0.9185217002
C   -2.4510917824  -1.0101739745  -0.1457765776
C    3.0554929376   4.5960738834  -0.9897880656
C   -3.0547228485   1.1546041724   0.1034341517
C   -4.1716160287   0.9490833964  -0.7095896576
C   -4.3073546799  -0.3337170844  -1.1786348066
C   -1.7155573787   2.5942677274   1.4200136531
H    3.2551935097  -2.8636797387   1.3682158412
H    3.9126376158   0.3787701786  -2.2983193323
H   -0.5675154130  -0.0501494163   1.1565590570
H    4.8664852930  -3.3400283955  -0.4194443084
H    5.2070509646  -1.7060685762  -2.2482051684
H   -1.8304725210  -2.9286403447  -0.3108138614
H    1.3280885405   3.6810304826  -0.0864974544
H    1.4300887829   3.4637271877  -1.8384587073
H    2.5556464705   5.5541533157  -1.1295914168
H    3.6390629588   4.6563770486  -0.0713567511
H    3.7346413473   4.4487555625  -1.8294985689
H   -4.8657443791   1.7417566677  -0.9418697549
H   -1.7847963687   3.6341469784   1.7246478799
H   -0.7927902093   2.4473379097   0.8600492714
H   -1.7209605665   1.9615479806   2.3069905927
*