! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -4.8144914074  -0.3093092219   1.6341676558
S   -1.9979577553  -1.4545965994  -0.2459136756
O   -1.7800294788  -1.7088982001  -1.6547688946
O   -2.8033557548  -2.3594342428   0.5373911236
O   -1.1098515263  -0.7441296009   2.4699069664
O    3.1679632191  -1.7938034156  -1.9938776339
O    5.6212618685  -0.2870023499   1.6482340688
N   -2.0733989759   1.2579164132  -0.5429521100
N   -0.9863113741   1.2974917432  -1.2989913252
N   -3.8251774193   1.9270073768   0.6551807566
N   -0.4650757377  -1.3506996662   0.3792949565
N    1.0982267712  -0.7618771639   1.9925269669
N    2.1176967062  -1.2934849142  -0.0262033999
N    3.3552747302  -0.5256370154   1.8304177849
C   -2.6476543709   0.1303945159  -0.0141425218
C   -0.5949005775   2.4865107499  -1.6712693134
C    0.6314345139   2.5633134372  -2.5312322251
C   -2.8160243023   2.3220095557  -0.1135488431
C    1.8340958579   1.8063987095  -1.9723658665
C   -1.2895987822   3.6694660432  -1.2992860878
C   -2.4034141648   3.5968610205  -0.5229092974
C   -3.7162040957   0.6049756901   0.7243740593
C    2.2862245720   2.3028789838  -0.6079464887
C   -0.2238238542  -0.9456342532   1.6664146687
C    2.2356307535  -0.8650432185   1.2190227731
C    3.2357938324  -1.3735513942  -0.7414417523
C    4.4616794323  -0.6119091529   1.1045333649
C    4.4712636701  -1.0332210553  -0.2209998981
C    1.9028392041  -2.1783026124  -2.5281859016
C    5.6532208232   0.1530168835   3.0048128354
H    0.3833801955   2.1711602918  -3.5217998670
H    0.8902120884   3.6139983702  -2.6734538267
H    2.6519592368   1.9016383337  -2.6890048345
H    1.5947704141   0.7438272765  -1.9206944076
H   -0.9160311735   4.6245325711  -1.6389257478
H   -2.9585842353   4.4699866629  -0.2124799645
H    2.4853013858   3.3763237489  -0.6224555242
H    1.5386038948   2.1182968804   0.1653469678
H    3.2082562548   1.8080742629  -0.2988325862
H    1.2508830910  -0.4460145135   2.9413298868
H    5.3800304894  -1.0966750915  -0.8008974457
H    2.0991139292  -2.4987348270  -3.5471645086
H    1.2019262034  -1.3427325222  -2.5560649452
H    1.4655416594  -3.0082959401  -1.9731961176
H    5.2866601319  -0.6138310775   3.6860437162
H    5.0768990674   1.0667577381   3.1446430165
H    6.6985762200   0.3531067902   3.2219672148
H    0.3407938300  -1.4278209140  -0.2575263239
*