! 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  -5.6196906687  -0.0114486284   0.5105472034
O    2.7352607839  -0.9422939713  -1.5593786361
O    0.0599256558  -1.0169038998  -0.5264126724
N    1.1382809045   1.0289256284  -0.3171390815
N    1.2039633640   2.0477630492   0.5487167836
N    1.0543560521   2.8139788222  -1.5519965122
C    3.5656048783  -0.9806044183   0.7687424700
C    2.3833663493  -1.1471487938  -0.2115048720
C    1.1073447471  -0.3517503327   0.1302814790
C    4.1031302597   0.4493615528   0.8384367016
C    3.1306473343  -1.4255419863   2.1666746133
C    4.6921277641  -1.9084045251   0.3007180808
C    1.0377563717   1.5037615290  -1.5645391797
C   -1.2344924121  -0.7144661881  -0.2307069657
C    1.1630500650   3.0908117446  -0.2373096842
C   -2.1903501097  -1.3902314904  -0.9848966983
C   -1.6362234062   0.1831547522   0.7505581785
C   -3.5373183640  -1.1787435544  -0.7581949791
C   -2.9905862216   0.3962371021   0.9755036157
C   -3.9321036648  -0.2823306534   0.2246649034
H    2.0787735901  -2.1965723459  -0.1368146166
H    0.9504844987  -0.3244048179   1.2105941004
H    5.0082475589   0.4713367884   1.4478444559
H    4.3844765842   0.8498284757  -0.1393890272
H    3.3948144799   1.1414231087   1.2911941946
H    2.7094378792  -2.4332878448   2.1547394499
H    2.3913079119  -0.7606541677   2.6161615876
H    3.9903683664  -1.4389956120   2.8381838512
H    5.5120576830  -1.8891762739   1.0204292244
H    5.1033743530  -1.6114153933  -0.6644295408
H    4.3537282367  -2.9434374330   0.2161031973
H    3.2972894702  -0.1624222228  -1.6336371878
H    0.9376498426   0.8834872350  -2.4397836404
H    1.2045925774   4.0946192568   0.1547345174
H   -1.8768802811  -2.0885464740  -1.7500311197
H   -0.9325529041   0.7334225671   1.3584972302
H   -4.2701923329  -1.7121916501  -1.3475221785
H   -3.2943037347   1.0964786855   1.7412840471
*