! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -5.0055326255  -0.1552188639   1.4436685877
S   -2.0672436692  -1.6214733324   0.0113208520
O   -1.8852241467  -2.0204357895  -1.3690514204
O   -2.9216106302  -2.3892706119   0.8834369381
O   -1.0791849982  -0.7301776147   2.6490868571
O    2.9536376226  -1.8569762260  -2.0141756105
O    5.5421639751   0.0060477260   1.3591283714
N   -1.9225352660   1.0567940689  -0.4840568032
N   -0.7400500883   0.9661368393  -1.0742828358
N   -3.7759815405   1.9238529871   0.3833336532
N   -0.5224962520  -1.5617613969   0.6087691155
N    1.1038498052  -0.7755549697   2.0668038754
N    2.0193610001  -1.3615503988   0.0120498560
N    3.3222321658  -0.3982987767   1.7274076253
C   -2.6157146797   0.0193495347   0.0828105825
C   -0.2313948556   2.0868757955  -1.5081154643
C    1.1386074141   2.0097138280  -2.1029181491
C   -2.6552027719   2.1908694604  -0.2781355106
C    2.2411775410   2.2464937514  -1.0636626097
C   -0.9134668990   3.3301446289  -1.3881537947
C   -2.1247412699   3.3912153061  -0.7733227413
C   -3.7475986739   0.6136478779   0.6080290418
C    2.2546908640   3.6418568663  -0.4607828247
C   -0.2298960597  -1.0060330252   1.8287116813
C    2.1917771414  -0.8543098248   1.2206779494
C    3.0829806314  -1.3858722859  -0.7853682093
C    4.3772216076  -0.4414923633   0.9242636177
C    4.3238194412  -0.9321707989  -0.3755149216
C    1.6677068327  -2.2897212742  -2.4553458080
C    5.6297626846   0.5543267607   2.6732951846
H    1.2746249783   1.0244384069  -2.5510027708
H    1.2284295865   2.7446927844  -2.9054256832
H    3.1991624034   2.0497796557  -1.5487080506
H    2.1425087683   1.5073404800  -0.2655653498
H   -0.4558602589   4.2217480817  -1.7922794082
H   -2.6740801845   4.3137782936  -0.6549780780
H    2.3289740789   4.4098851280  -1.2327139563
H    1.3599310093   3.8468986574   0.1288895229
H    3.1096626552   3.7616133691   0.2051710172
H    1.2984530582  -0.3781819417   2.9765309546
H    5.1881725091  -0.9506364660  -1.0226363169
H    1.8036540828  -2.6135688200  -3.4831248764
H    0.9399931385  -1.4776186789  -2.4366473384
H    1.3003931664  -3.1298251684  -1.8657693556
H    4.9842201115   1.4241920729   2.7894704024
H    6.6652425446   0.8599117475   2.7930657564
H    5.3836043148  -0.1834274194   3.4359536576
H    0.2578438995  -1.6466662221  -0.0609686919
*