! 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  -4.5707360753  -1.4230610271   0.4082710510
O    1.5527246558   0.2009095117  -1.7477470171
N    0.5997398315   2.1215378803   0.2299306812
N   -0.3775299252   2.3230627477   1.1179750931
N   -0.6986019948   3.5980892845  -0.6991608668
C    3.6705078393  -0.9670998346  -0.0406329691
C    4.3679015215  -0.3676501935   1.1427867955
C    4.6531064457  -1.7818939079   0.7420414048
C    2.2050003771  -1.3376595008   0.0184562917
C    1.2833033903  -0.1687285244  -0.4131277821
C    1.9455440008  -2.5868805628  -0.8205021142
C    1.5902237271   1.0866596820   0.4198810228
C   -0.1881541567  -0.5208737679  -0.2264134555
C   -0.6460147036  -1.0420298276   0.9820235204
C   -1.1204397804  -0.2683156966  -1.2259669066
C   -1.9861243314  -1.3229282061   1.1854883195
C   -2.4684937085  -0.5443261847  -1.0405024008
C    0.3871201693   2.8769053508  -0.8476149104
C   -2.8905533729  -1.0724109965   0.1654716535
C   -1.1226721014   3.2137119889   0.5185586526
H    4.0149641629  -0.6293231233  -1.0129469709
H    3.7939921814  -0.2088701849   2.0480861603
H    5.1263565788   0.3837179823   0.9636682493
H    5.6105823553  -2.0080767403   0.2908406661
H    4.2634815240  -2.5723275953   1.3730630478
H    1.9692837929  -1.5821579830   1.0594578553
H    2.2213581693  -2.4464076166  -1.8682820291
H    0.9020073241  -2.9017079693  -0.7865718713
H    2.5474454914  -3.4160319209  -0.4491905165
H    2.5687341566   1.4849125796   0.1552199679
H    1.6049894867   0.8488823790   1.4808281011
H    1.3367901245  -0.5343187353  -2.3329184073
H    0.0396388797  -1.2324028663   1.7976330473
H   -0.8158268026   0.1556858433  -2.1729004067
H   -2.3174124662  -1.7298270042   2.1309915726
H   -3.1751040846  -0.3432676750  -1.8342137539
H    1.0471477202   2.8905939188  -1.6989602446
H   -2.0092370014   3.6122897629   0.9864501772
*