! 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   5.0793369031   4.6133204816  -0.1896877788
O   -0.6844788747  -1.7861999637   1.3248279483
N   -1.5168225997  -3.4153234653  -0.8755958993
N   -2.4881380492  -3.4670460337  -1.7930700085
N   -2.8426317716  -5.0012628084  -0.1969580545
C   -0.7773502466  -1.2235384266   0.0338207828
C   -2.1619879078  -0.5631510264  -0.2953858916
C    0.2873567424  -0.1194563473  -0.2513578108
C   -1.8537609583   0.9115446072  -0.5659681585
C   -0.4533051480   0.8619219466  -1.1603988313
C   -3.3152383363  -0.8569845844   0.6779493060
C   -0.4898798417  -2.3972452314  -0.9063395368
C    0.8085412006   0.5475272967   1.0311623300
C   -3.3305361785   0.0207222758   1.9292890930
C   -4.6541045925  -0.7208843625  -0.0426167815
C    1.8686423391   1.5715258262   0.7441044781
C   -1.7480387917  -4.3276062226   0.0685960122
C    1.5925508347   2.9351568521   0.7755935924
C    3.1622568968   1.1710602510   0.4142944681
C    2.5705013112   3.8781280183   0.4894513028
C    4.1531419974   2.0956098510   0.1249840725
C   -3.2539963531  -4.4267765834  -1.3422440317
C    3.8458087264   3.4471701374   0.1653047749
H   -2.4720589341  -0.9781511193  -1.2592381870
H    1.1522417016  -0.5543060364  -0.7640636991
H   -1.8482691057   1.5023779221   0.3536999499
H   -2.5830252937   1.3726380446  -1.2332014136
H   -0.4964868413   0.4673453580  -2.1796074679
H    0.0309678690   1.8374228341  -1.2220911350
H   -3.2284410684  -1.9006720955   0.9975495495
H    0.4606092429  -2.8608163899  -0.6381343761
H   -0.4062293470  -2.0521385929  -1.9350436481
H    1.2302593552  -0.2157929636   1.6872165550
H   -0.0064455482   1.0216877142   1.5863519484
H   -0.9691239986  -1.1458176685   1.9833811595
H   -4.0670695103  -0.3513432218   2.6429753818
H   -2.3775054533   0.0677175161   2.4622568040
H   -3.6048949514   1.0500625670   1.6912193651
H   -4.7945664913   0.2874352884  -0.4391388616
H   -5.4875477520  -0.9243687697   0.6324137266
H   -4.7279543286  -1.4213420768  -0.8764776400
H   -1.0940347546  -4.4847996573   0.9102417911
H    0.5970292665   3.2764146623   1.0328275199
H    3.4084396171   0.1161776092   0.3869113761
H    2.3356806779   4.9333915338   0.5224054280
H    5.1520548317   1.7641897283  -0.1242319334
H   -4.1426405201  -4.7342247974  -1.8708756960
*