! 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   0.2753728035  -1.1735898953   1.7586348452
Cl  -4.0853308283  -2.3674243940   1.7951428989
Cl   1.2671333066  -4.1055641839  -2.6219406763
S   -0.4408864333   2.7248011472  -1.4710172539
N    2.0885497780   3.2416170100   1.5117123148
N    1.1385007589   1.0953497793   0.1391188619
N    3.2403223347   3.7967375394   1.1213225859
N    3.5640457260   2.4793582589   2.9098426485
C    0.8859208661   3.3877125534   0.7454215731
C   -1.3282824256   1.2763479992  -2.1056150312
C    0.6309250923   2.2052729130  -0.1700967131
C   -1.9849223491   0.3936594872  -1.0851580928
C   -2.5514698268   0.8883643690   0.0841767539
C   -2.0777046752  -0.9690780572  -1.3472832557
C    1.1072944645  -0.0915694615  -0.5640209366
C   -3.2007748033   0.0458710738   0.9724467389
C   -2.7226357103  -1.8255281295  -0.4700859165
C    2.3022216841   2.4485952087   2.5609100862
C    0.7856208480  -1.2689642251   0.1167602690
C    1.5098209664  -0.1966993743  -1.8941527829
C   -3.2801428946  -1.3068586406   0.6863907981
C    0.8279402783  -2.5024063709  -0.5049271835
C    1.5643642583  -1.4236837899  -2.5337675387
C    1.2172103761  -2.5668281224  -1.8331780066
C    4.0850629917   3.3187897948   1.9946738409
H    0.9505272665   4.3198143260   0.1855476315
H    0.0340894073   3.4830212456   1.4208686151
H   -0.6843667718   0.6992449803  -2.7666084192
H   -2.0866625138   1.7425034695  -2.7409347420
H   -2.4942289565   1.9442522603   0.3165046601
H   -1.6372740672  -1.3762637765  -2.2490589876
H   -3.6352586871   0.4452230213   1.8783446494
H   -2.7797749826  -2.8833762703  -0.6862546807
H    1.5191396306   1.8837507142   3.0395531032
H    1.8008019072   0.6954287679  -2.4340065209
H    0.5522083539  -3.3961141588   0.0368898165
H    1.8764780234  -1.4791165601  -3.5671553739
H    5.1287117934   3.5892897802   1.9734375548
*