! 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   1.6075915175   0.3483552143   3.0894317392
Cl  -4.5330620033  -2.5370521799  -2.6837114967
Cl   3.7192733208  -3.6012656932   0.1332149793
S   -1.5304150785   2.9625620887   0.1545290604
N    2.2084189167   2.0709731289  -0.4890718383
N   -0.1551943581   0.8061927024   0.7452749666
N    2.6564114394   2.5364934931   0.6788438345
N    4.2066267094   1.2463269071  -0.3057817178
C    0.8699862448   2.3497179561  -0.9290186509
C   -2.7857739085   1.9152261422   0.9528917927
C   -0.1738746973   1.8638511584   0.0568689891
C   -3.2359880705   0.7980252318   0.0624763937
C   -2.9103379444  -0.5228916587   0.3495161772
C   -3.9816391308   1.0690803729  -1.0821833976
C    0.7898952080  -0.1941515679   0.5760890848
C   -3.3065383881  -1.5552758962  -0.4889489096
C   -4.3875773297   0.0512434474  -1.9290029044
C    3.1352764262   1.2955145649  -1.0560331640
C    1.6571889432  -0.5402843080   1.6128649941
C    0.8226489755  -0.9633422849  -0.5869237166
C   -4.0384811438  -1.2564732800  -1.6252148028
C    2.5644793839  -1.5774558247   1.4814307417
C    1.7149697170  -2.0105942430  -0.7330284564
C    2.5875549061  -2.3024511794   0.3021776913
C    3.8501780593   2.0103207478   0.7458021467
H    0.7105098489   1.8693756307  -1.8954280481
H    0.7597760026   3.4228171806  -1.0945364610
H   -3.6035867030   2.6026390574   1.1739457872
H   -2.3933619312   1.5524958311   1.9008267374
H   -2.3391825652  -0.7575031737   1.2369587629
H   -4.2506849132   2.0901194090  -1.3241487049
H   -3.0415590539  -2.5769814273  -0.2538905779
H   -4.9684714697   0.2773336773  -2.8126104040
H    2.9936020824   0.8132232130  -2.0102297354
H    0.1301587400  -0.7384085886  -1.3882114987
H    3.2397561024  -1.8140347938   2.2919271465
H    1.7242752899  -2.5883774171  -1.6466645870
H    4.5004812613   2.1934964781   1.5867773210
*