! 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   3.9863744093   2.4933184578  -1.0696315215
S    1.3147480247  -1.9479827548   0.9501982394
O    1.2303371031  -1.5407448715   2.3332818943
O    1.7584709344  -3.2848274383   0.6348647786
O    1.7331580361   2.6930365334   0.8630561899
O    0.3058374570   1.0215142022   1.2604583399
O    0.4626969615  -2.0900680117  -1.8295284065
O   -5.2595534818   1.5206209283  -1.5899312698
O   -3.4461606576   0.2457499800   2.4869658011
N    3.3914308568  -1.1649265397  -0.6892056509
N   -0.1850320021  -1.6889965417   0.3083401550
N    4.0443289186  -0.1087715880  -1.1485164305
N   -1.5536965966  -1.1346408764  -1.4853313528
N   -3.4100994633   0.1773482760  -1.5434937192
N   -2.5001236058  -0.4762479866   0.5329863644
C    2.3538337572  -0.8036687290   0.0822258527
C    2.3327415073   0.5857793760   0.1351723754
C    3.4272686950   0.9424028359  -0.6642573404
C    3.8582214163  -2.4807793109  -1.0981923462
C    1.3483338415   1.4349217014   0.8141253193
C   -0.3706068412  -1.6702890802  -1.0522815795
C   -2.5285306552  -0.4468537313  -0.7869562840
C   -4.3447571622   0.8625609438  -0.8988064423
C   -3.4356934560   0.2254337478   1.1656453552
C    0.8330965933   3.6282457703   1.4625965304
C   -4.4116653921   0.9343680580   0.4872619066
C   -5.2158216809   1.4802675024  -3.0146237420
C   -2.4637623445  -0.5024852675   3.2011237475
H   -0.8894800452  -1.1978525315   0.8819810662
H    3.0582544203  -3.0391304418  -1.5709066270
H    4.6520234825  -2.3179150992  -1.8177446534
H    4.2545432801  -3.0333468459  -0.2521488669
H   -1.6500015446  -1.1062481095  -2.4922967320
H    0.6619799372   3.3952465225   2.5129260729
H    1.3163092966   4.5970063523   1.3830304315
H   -0.1198389703   3.6556153685   0.9352944995
H   -5.1735198148   1.5021708405   1.0004465547
H   -6.0384310033   2.1059052324  -3.3492279537
H   -5.3588543403   0.4687373586  -3.3931925956
H   -4.2803972419   1.8823697374  -3.4018696737
H   -1.4563183074  -0.1376137468   3.0015238731
H   -2.5249533306  -1.5669582643   2.9749055175
H   -2.6883767444  -0.3525825892   4.2532127854
*