! 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  -2.8867516995   1.2247660234   2.0600088405
S    1.3178278532  -2.1236209115   0.9082355379
O    2.2119161492   1.4459295465   2.0774225025
O    1.5306798596  -3.5500880249   0.7917951975
O    1.1327558783  -1.5269005872   2.2195524115
O    0.7049341683   1.1740753472   0.4404066139
O    0.5935423090  -2.5402436160  -1.9202077393
O   -4.5245882530   1.8492144556  -2.6210398089
N   -0.0619599981  -1.7007093731   0.0849136705
N   -1.2233425007  -1.2023249104  -1.8646713202
N   -2.8740996929   0.3173313509  -2.2480643116
N   -2.1052749892  -0.0526715638  -0.0487227955
C    2.6455292570  -1.2795157282   0.0963267749
C    2.8072383017   0.0960867866   0.2683057205
C    3.5673336409  -2.0285468105  -0.6167556013
C    3.9190359982   0.7102814765  -0.2873613838
C    4.6664611374  -1.3962611825  -1.1784335212
C    4.8418927480  -0.0328237377  -1.0115219648
C    1.7789331546   0.9523237340   0.9380418388
C   -0.1727709418  -1.8608498685  -1.2698675100
C    1.3054002891   2.2670011399   2.8465560823
C   -2.0994969952  -0.2736832122  -1.3503620098
C    1.2603718142   3.6924763275   2.3538989139
C   -3.7129285860   1.2271697173  -1.7940240185
C   -3.7797831587   1.5855987148  -0.4386968883
C   -2.9271834281   0.8931901533   0.3754511231
C   -4.4741854160   1.5316868645  -4.0134269323
H    3.4452371290  -3.0953821184  -0.7328278426
H    4.0638643991   1.7755788662  -0.1668867882
H   -0.6989457663  -1.0268014846   0.5351880481
H    5.3858195229  -1.9759840977  -1.7391998305
H    5.7012003072   0.4606225051  -1.4438810907
H   -1.2819019980  -1.3407027553  -2.8652386521
H    1.6994940953   2.2201360511   3.8591610794
H    0.3137361708   1.8122962366   2.8465407150
H    0.8221190744   3.7750824751   1.3606361852
H    0.6434830766   4.2759212467   3.0380087871
H    2.2533819937   4.1411019936   2.3393911096
H   -4.4541860018   2.3477229961  -0.0800813551
H   -4.7156876509   0.4851782028  -4.1934790881
H   -3.4972135232   1.7586771690  -4.4378329205
H   -5.2253481291   2.1603638766  -4.4819220247
*