! 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  -6.1522108095  -0.8991544639   0.9454828066
S    1.8028849095  -0.5878070209  -1.4912661435
O    2.8172738576   2.3131049188   0.9264050117
O    1.8961857786   0.8385854784  -1.7467404851
O    2.1760043683  -1.5251634628  -2.5276432166
O    0.8410252708   1.2762468764   1.1114097503
O    0.3848960753  -3.0434465374  -0.6760281307
O   -2.7935728619   2.3811467097  -0.7610431850
N    0.2067432302  -0.8181567271  -1.0863501789
N   -1.6005537094  -2.0469888940  -0.2930425836
N   -2.1710704793   0.1950969691  -0.5379670772
N   -3.7107808711  -1.4072005319   0.2564813379
C    2.7238732742  -0.9608711951  -0.0260266136
C    2.8272013119  -0.0150022465   0.9945784761
C    3.4049638907  -2.1661310852   0.0389160260
C    3.6287372793  -0.3004222648   2.0896202790
C    4.1870626372  -2.4440308868   1.1497630676
C    4.2977766851  -1.5142015022   2.1702439091
C    2.0413723749   1.2564818054   0.9989314665
C   -0.2837811908  -2.0317107763  -0.6899128041
C    2.1869115915   3.6123674262   0.9256194730
C   -2.5248922399  -1.0341747937  -0.1920947404
C    3.2761774595   4.6506846879   0.8807582832
C   -3.0854658776   1.1439504727  -0.4268575474
C   -4.3749152311   0.8745755735   0.0378667464
C   -4.6020420423  -0.4399529318   0.3601244154
C   -1.4766056478   2.6829749989  -1.2273267298
H    3.3403792328  -2.8836932741  -0.7658409456
H    3.7231324700   0.4191182993   2.8920268371
H   -0.3968768043   0.0067057979  -0.9785701003
H    4.7139020219  -3.3859162738   1.2080992718
H    4.9113572499  -1.7273483930   3.0345716020
H   -1.9341396231  -2.9599702292  -0.0118621466
H    1.5740285949   3.7212660535   1.8208789332
H    1.5358682508   3.6895123612   0.0523316429
H    3.8904735206   4.5548827381  -0.0145903048
H    2.8184135026   5.6394114288   0.8664020069
H    3.9215238758   4.5955085676   1.7576069586
H   -5.1227805196   1.6467070150   0.1325200643
H   -1.4799540594   3.7466057084  -1.4456686351
H   -1.2399637123   2.1339718507  -2.1384812286
H   -0.7326089797   2.4761220627  -0.4598659897
*