! 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  -5.3281605604  -0.8877197928   0.7015719015
O    3.4841384868   0.8759504189   0.3906178430
O    0.3875487126  -0.5627689657  -0.5434922370
N    1.1243314511   1.6441366642  -0.5880358793
N    0.8701725757   2.7508006232   0.1154360027
N    1.1172499101   3.2388700295  -2.0598750737
C    2.9953102797  -1.5301247357   0.5746186800
C    2.6996307041  -0.1762328784  -0.1246061310
C    1.2673047080   0.3452858508   0.0438996442
C    4.5188552693  -1.7056457867   0.6223260037
C    2.4509386021  -1.5647068818   2.0018771819
C    2.4317441847  -2.7060939234  -0.2283239755
C    1.2751889008   1.9510280126  -1.8776951011
C   -0.9304887715  -0.5627306095  -0.2062148847
C    0.8743180300   3.6749769391  -0.8081890502
C   -1.6897264200  -1.5825336541  -0.7739841922
C   -1.5329786031   0.3589448772   0.6410394982
C   -3.0400000357  -1.6854452520  -0.4969063135
C   -2.8896778525   0.2521693595   0.9205454678
C   -3.6350537573  -0.7644072024   0.3534511432
H    2.8945262934  -0.3085789556  -1.1995940704
H    1.0559259274   0.5052589779   1.1051474855
H    4.9721688874  -1.6161372793  -0.3688832209
H    5.0060744038  -0.9913548872   1.2871586739
H    4.7634716054  -2.7009245951   0.9963492726
H    2.7897535612  -2.4689958258   2.5112621534
H    1.3593544750  -1.5784145758   2.0350281050
H    2.7963693767  -0.7131476697   2.5914516448
H    1.3454825423  -2.7617108003  -0.2087220306
H    2.8080729956  -3.6445632422   0.1840347157
H    2.7474035163  -2.6632890070  -1.2737609887
H    4.3871133469   0.7625577187   0.0783966736
H    1.4887861180   1.2233179311  -2.6447807303
H    0.6901636893   4.7107471367  -0.5704322681
H   -1.2212434175  -2.2993614282  -1.4357831866
H   -0.9890303190   1.1774648473   1.0906422826
H   -3.6190544656  -2.4825433150  -0.9424286327
H   -3.3504724052   0.9745703157   1.5799203755
*