! 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   1.7456313753   0.0002790322   3.2319472593
Cl  -5.8959242328  -0.7962939208  -3.5703145287
Cl   5.0415630291  -3.0653024871   0.3156101389
S   -1.6832303660   2.0051421636   1.1491378976
N    2.0461146916   2.0608197008  -0.0336599118
N    0.0435582138   0.0473130962   0.7428735192
N    1.8588209141   1.9015016263  -1.3466212468
N    3.9982218668   1.5013823756  -0.7970578181
C    0.9517124789   2.3771674287   0.8378040382
C   -2.7656401318   0.5602242780   1.3755213500
C   -0.1081811100   1.2940848593   0.8700734077
C   -3.5378210375   0.2162670466   0.1392008028
C   -2.9219729740  -0.4002222207  -0.9480624558
C   -4.8938589670   0.5129172445   0.0574454052
C    1.2622349291  -0.6104619954   0.6390482983
C   -3.6395776379  -0.7132779048  -2.0901729917
C   -5.6285585509   0.2046486636  -1.0787487002
C    3.3194141386   1.8072407053   0.2786292972
C    2.1217259376  -0.7685958114   1.7281801551
C    1.6003656416  -1.2571982372  -0.5491962725
C   -4.9914366929  -0.4062507688  -2.1451867672
C    3.2812264547  -1.5208142634   1.6413364727
C    2.7596266105  -2.0010410712  -0.6610886397
C    3.5929171130  -2.1285050059   0.4385903425
C    3.0532118050   1.5634460094  -1.7562099486
H    0.5096678073   3.3240429019   0.5249225000
H    1.3387674216   2.5323781121   1.8459264431
H   -3.4356785017   0.8220944689   2.1936942261
H   -2.1389128331  -0.2658670794   1.7103779823
H   -1.8679583572  -0.6421416542  -0.9050693477
H   -5.3935674771   0.9908001044   0.8907982159
H   -3.1493255573  -1.1938665298  -2.9256748307
H   -6.6830979734   0.4392938544  -1.1250588353
H    3.7038516114   1.8832569060   1.2837861096
H    0.9383713200  -1.1678768666  -1.3997138815
H    3.9295328546  -1.6219366814   2.5004053036
H    3.0031506063  -2.4810930004  -1.5985486552
H    3.2565989457   1.3608292503  -2.7957003871
*