! 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   4.5163902666  -1.5525726350   0.0557471102
O   -1.7748950170  -0.5612746709  -1.9489325907
N   -0.6551127710   2.3799734891  -0.1359077987
N   -1.3067936815   2.7671392158   0.9649369817
N    0.8147934619   3.4944648773   1.0166509110
C   -2.1462709635  -1.8292561803   0.6400375525
C   -3.1355760562  -2.5532456414   1.4953692779
C   -3.1461585188  -2.7635066927   0.0125587218
C   -2.1753796945  -0.3212663897   0.4298265842
C   -1.2617805472   0.0296516748  -0.7744575573
C   -3.5829189610   0.2420640980   0.2678577124
C   -1.2554275484   1.5336750551  -1.1337321112
C    0.1831729406  -0.4039858206  -0.5380119276
C    0.8167802671  -0.2122479960   0.6893474476
C    0.9297179141  -0.9491190353  -1.5788176942
C    2.1448200427  -0.5593938540   0.8795209067
C    2.2594026976  -1.3049211992  -1.4058943663
C    0.6059158095   2.8110614422  -0.0819656260
C    2.8577901049  -1.1075679685  -0.1736138182
C   -0.3872608098   3.4285702575   1.6190134467
H   -1.1419649835  -2.2346889492   0.7058585890
H   -3.9567231314  -2.0001517819   1.9332557006
H   -2.7608053303  -3.3513993896   2.1229862145
H   -2.7866222502  -3.7073580128  -0.3773491348
H   -3.9760438277  -2.3454409120  -0.5438336951
H   -1.7508594007   0.1358775138   1.3268496311
H   -3.5797499898   1.3287929303   0.3267945888
H   -4.2357244560  -0.1017607997   1.0700095058
H   -4.0431712284  -0.0406423097  -0.6785170920
H   -2.2657081569   1.8888892046  -1.3289257202
H   -0.6849220818   1.6651938253  -2.0533097544
H   -1.9460988107  -1.4942975771  -1.7698971462
H    0.2839300518   0.2062889463   1.5334140486
H    0.4803502499  -1.1063012890  -2.5492154560
H    2.6114876694  -0.4027094684   1.8422397950
H    2.8165467551  -1.7321828973  -2.2285071885
H    1.3243555654   2.6212309394  -0.8635129872
H   -0.5972473184   3.8950529192   2.5687498763
*