! 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  -5.9475497786   1.8519779674  -2.0413597679
O    2.8483812020   1.6580514292   0.0669812301
O    1.8077496071  -1.6348141758   2.3329362211
N    2.3512886148  -0.5079434039   0.4407181261
N    1.6612555340  -2.7485116526   0.3588786741
N    1.7592953802  -4.8592120948  -0.2562963969
C    2.5345914149   0.7973432823   1.1367665744
C    2.8147731306  -0.4240581501  -0.9698259215
C    3.5685367865   0.9046880771  -0.8797053490
C    1.2595873727   1.3149740285   1.7974021533
C    3.6923762370   0.7549446298   2.1295918695
C    3.7758754588  -1.5286537388  -1.3856053434
C    1.6652283132  -0.2994776936  -1.9641213315
C    0.0192482221   1.3155843652   0.9167874775
C    1.9534423798  -1.5778985190   1.1273701147
C   -1.1945505185   1.8857125750   1.6525685062
C   -2.4099178839   1.8960445998   0.7714259805
C    0.5213042250  -2.9910030655  -0.3686128281
C    2.3577781188  -3.9118703419   0.4085451696
C   -3.2157188536   0.7661682749   0.6530933946
C   -2.7261338908   3.0124157050   0.0020240813
C    0.6065657613  -4.2971040216  -0.7381890849
C   -4.3045646280   0.7426682831  -0.2057627708
C   -3.8110069079   3.0101490996  -0.8626557587
C   -4.5913812230   1.8695855522  -0.9597881210
H    4.6077386695   0.7485106049  -0.5654377330
H    3.5789998346   1.4382324302  -1.8291623344
H    1.4741103020   2.3363489102   2.1261167495
H    1.0692605491   0.7444487644   2.7068217744
H    3.8676418994   1.7596040147   2.5155944686
H    4.6152941361   0.4060393378   1.6649546991
H    3.4782183718   0.1073466493   2.9755459231
H    3.2712980578  -2.4513204829  -1.6657467930
H    4.5061379647  -1.7487835308  -0.6062517047
H    4.3261822267  -1.1917171902  -2.2656478070
H    1.0909223703  -1.2195716994  -2.0493646157
H    0.9836028088   0.5084348093  -1.7010172611
H    2.0717505488  -0.0843047113  -2.9528978339
H    0.1943124064   1.9035693373   0.0129080421
H   -0.2198505666   0.3001884588   0.5873784987
H   -0.9717639826   2.9008261622   1.9901814997
H   -1.3880482635   1.2905304831   2.5486526052
H   -0.2441181099  -2.2489953415  -0.5213684412
H    3.2991116181  -3.9953908857   0.9289330549
H   -2.9947250512  -0.1165518269   1.2412393016
H   -2.1172497681   3.9054027900   0.0752444377
H   -0.1036344531  -4.8605900226  -1.3214861391
H   -4.9191480374  -0.1439637085  -0.2828401518
H   -4.0409786071   3.8883216771  -1.4505526991
*