! 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   1.5842265436   0.2909468805   3.3121785874
Cl  -3.4332712860  -1.8054818045  -3.7079774131
Cl   3.5916422688  -3.6613267140   0.2801203226
S   -1.7861802375   2.8098253230   1.2186289430
N    1.8415485393   2.0983367332  -0.0662209890
N   -0.4197390796   0.5860375796   1.0696190508
N    1.5373190028   1.8713627145  -1.3461720759
N    3.5918455601   1.1015438634  -0.8714835545
C    0.8905544665   2.7009993598   0.8227954849
C   -3.0723493809   1.5292689718   1.2820761297
C   -0.3403329200   1.8417362866   1.0263159745
C   -3.1634464692   0.7058663987   0.0302892560
C   -3.3128549937   1.3038963598  -1.2164880174
C   -3.1085527134  -0.6813971387   0.1015508257
C    0.5971160739  -0.3323456932   0.8760601859
C   -3.3972647022   0.5400497528  -2.3698805468
C   -3.1982037484  -1.4626706190  -1.0403409148
C    3.0607877637   1.6255782206   0.2032548187
C    1.5429869170  -0.6396372300   1.8541671421
C    0.6035710995  -1.0932492496  -0.2939030536
C   -3.3364606779  -0.8412734678  -2.2704030677
C    2.4644482739  -1.6596685935   1.6840887699
C    1.5245666874  -2.1038884890  -0.4905427560
C    2.4462368078  -2.3847802214   0.5060471591
C    2.6124251093   1.2701076170  -1.7823170670
H    0.6111107593   3.6810903871   0.4359547942
H    1.3723034741   2.8685166394   1.7869091723
H   -3.9910455451   2.0960320527   1.4466798909
H   -2.9158491979   0.9037079167   2.1593619875
H   -3.3528741741   2.3828635206  -1.3003914119
H   -2.9840085948  -1.1667092022   1.0607459438
H   -3.5080039583   1.0189097014  -3.3331594078
H   -3.1484981723  -2.5404868407  -0.9674128227
H    3.5218534931   1.7051915788   1.1754059881
H   -0.1348292377  -0.8781320684  -1.0545288348
H    3.1873935583  -1.8757582960   2.4582763271
H    1.5142842540  -2.6708582684  -1.4110154164
H    2.7020052917   0.9459344209  -2.8069732072
*