! 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   5.2369738130   3.5910504011  -0.0540484291
O   -1.6784565232  -1.2292746981   1.8069508411
N   -1.1980362297  -2.6775845646  -0.7241104798
N   -0.7304619529  -3.3969635433   0.3009876385
N    0.2631999747  -4.0268635300  -1.6021455654
C   -1.8162549477  -0.6054314622   0.5491490965
C   -2.9237126604   0.4739936004   0.6084270706
C   -0.5864462433   0.2697909831   0.2116958400
C   -2.5868067547   1.4132501229  -0.5649636126
C   -1.0897481888   1.2187014821  -0.8716643049
C   -4.3913445374   0.0298996838   0.6219515077
C   -2.1857976945  -1.6353576377  -0.5304621321
C    0.7419707354  -0.4182247161  -0.1055619422
C   -4.7337691351  -0.9182845074   1.7674584506
C   -5.3000450695   1.2557869750   0.6972904487
C    1.8778173143   0.5666757182  -0.1013532312
C   -0.5955495683  -3.0624780767  -1.8454228709
C    2.4642306169   0.9674900998   1.0971269529
C    2.3514751895   1.1279245018  -1.2835287054
C    3.4942305359   1.8950823263   1.1228513494
C    3.3800333806   2.0596095268  -1.2802218401
C    0.1453041057  -4.1844211663  -0.2738314998
C    3.9440428302   2.4347476389  -0.0721946809
H   -2.7422528913   1.0147814119   1.5468102635
H   -0.4269945125   0.8587955711   1.1239108540
H   -2.8166202012   2.4483520939  -0.3147982295
H   -3.1960770646   1.1673078945  -1.4385166293
H   -0.9464496833   0.7795761118  -1.8630980762
H   -0.5397616375   2.1597045482  -0.8716779311
H   -4.6134638954  -0.4776911716  -0.3246887262
H   -2.3322023458  -1.1593794885  -1.4991859770
H   -3.1272719590  -2.1190710649  -0.2688647652
H    0.7038376535  -0.9012554629  -1.0836514542
H    0.9460585048  -1.1961317686   0.6347078298
H   -1.1770368913  -2.0504745002   1.6896633795
H   -4.4990681971  -0.4674029116   2.7342736462
H   -5.8018294907  -1.1441590871   1.7633038912
H   -4.2027322443  -1.8669203969   1.7116440009
H   -5.1055794599   1.8321963221   1.6054341854
H   -6.3498330002   0.9580316728   0.7167711468
H   -5.1701660837   1.9247129586  -0.1537849842
H   -0.8103245163  -2.6229561197  -2.8066521414
H    2.1183349139   0.5443597640   2.0327880339
H    1.9169578388   0.8332387930  -2.2309903011
H    3.9407194560   2.1879109925   2.0633567186
H    3.7348418821   2.4819074880  -2.2104823941
H    0.7133848014  -4.9052682423   0.2924422461
*
