! 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   5.2656025372   3.6478096992   0.1436183936
O   -1.6668295938  -1.3709259506   1.6702967765
N   -1.2212944174  -2.6923283255  -0.8385131377
N   -0.3335856730  -2.8099392004  -1.8303958464
N   -0.2207626883  -4.5906353785  -0.4729217203
C   -1.7795894971  -0.6155914248   0.4826655755
C   -2.9082200474   0.4352246219   0.6257909962
C   -0.5567896520   0.3031878692   0.2754729871
C   -2.5608539077   1.4902720308  -0.4393496257
C   -1.0485748528   1.3698244951  -0.7007822298
C   -4.3692995393  -0.0251661158   0.5624644887
C   -2.0979002464  -1.5470945186  -0.7061043644
C    0.7674039670  -0.3481839359  -0.1226814633
C   -4.7190541264  -1.0901510749   1.5979842952
C   -5.2987664147   1.1748362964   0.7376518715
C    1.9027807157   0.6351798913  -0.0595754936
C   -1.1445884246  -3.7627164863  -0.0450411202
C    2.4831698665   0.9786940043   1.1592827053
C    2.3850958924   1.2473364754  -1.2126262291
C    3.5149486269   1.9018872422   1.2323236819
C    3.4155457556   2.1754360146  -1.1615482335
C    0.2416862485  -3.9546149558  -1.5642704106
C    3.9727336384   2.4946358155   0.0655653874
H   -2.7530323228   0.8814871160   1.6170349073
H   -0.4061711143   0.7815341438   1.2519218360
H   -2.8366070999   2.4896530679  -0.1050334693
H   -3.1264256357   1.3046970754  -1.3560596379
H   -0.8546954006   1.0638031854  -1.7322622592
H   -0.5244812425   2.3140023021  -0.5557939777
H   -4.5648206870  -0.4353618959  -0.4355828762
H   -2.0689184770  -1.0122060962  -1.6536894631
H   -3.1083123835  -1.9381346996  -0.5986547631
H    0.6992725014  -0.7493682067  -1.1331680306
H    0.9963385394  -1.1932019346   0.5360456066
H   -0.7741249330  -1.7256560390   1.7414423761
H   -5.7773983506  -1.3485885320   1.5313198833
H   -4.1548605185  -2.0134018448   1.4703214840
H   -4.5331818195  -0.7288099363   2.6120544352
H   -5.1712399335   1.9184810793  -0.0494542850
H   -5.1251557655   1.6726422217   1.6952514024
H   -6.3436264452   0.8603423604   0.7167453072
H   -1.7882405111  -3.9165893772   0.8057788371
H    2.1325888568   0.5148167040   2.0736996384
H    1.9553148883   0.9972720688  -2.1750179078
H    3.9569025075   2.1518246339   2.1873406050
H    3.7772498453   2.6383791712  -2.0697842412
H    1.0247288638  -4.3512504312  -2.1915713777
*