! 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   0.2547377323  -0.1739496760   1.9747817768
Cl   1.7461146269  -4.3627946634  -0.9286415910
O   -1.1897649482   1.6189858022   0.2189204071
O   -1.0159079361   1.5649385928  -1.9955559769
N    1.7127535020   2.2495676519   0.3229209166
N    2.7583451008   1.4192880283   0.3562458497
N    2.5674959149   2.5248403217   2.3018621603
C   -0.2998300021   1.3332849488  -0.8151020019
C   -2.5166841104   1.3360606424  -0.2319751383
C   -2.3376033880   1.1191643200  -1.7417362470
C   -3.1334743778   0.1471787311   0.4787728437
C    0.8472314802   2.3445832259  -0.8212516395
C    0.2048318709  -0.1116374952  -0.7715752700
C   -4.5797043387  -0.0720198421   0.0472230241
C    0.4652316127  -0.8344557650   0.3912985417
C    0.4695785391  -0.7477441529  -1.9826615758
C   -5.2094779155  -1.2792535058   0.7230758600
C    0.9335760741  -2.1412272273   0.3480059810
C    0.9445857059  -2.0449171223  -2.0553323104
C    1.6058174383   2.8867052885   1.4892780097
C    1.1668134692  -2.7359225379  -0.8774690157
C    3.2314331676   1.6204686399   1.5580300838
H   -3.1180130782   2.2287828153  -0.0361195120
H   -2.4505819099   0.0638621840  -2.0166214966
H   -3.0242933977   1.7082391565  -2.3472514485
H   -3.0972075040   0.3099905366   1.5593264281
H   -2.5455164078  -0.7534710150   0.2728003189
H    0.4294783411   3.3508579679  -0.8521627139
H    1.4506049507   2.2058196602  -1.7167646621
H   -4.6331115724  -0.2018912356  -1.0386788191
H   -5.1653287343   0.8239765496   0.2736035995
H    0.2973529919  -0.2205075138  -2.9104706650
H   -5.2028516313  -1.1754078339   1.8097024287
H   -6.2458859289  -1.4130799156   0.4107560469
H   -4.6705610398  -2.1959257245   0.4771845765
H    1.1182419053  -2.6813271253   1.2657642031
H    1.1319016898  -2.5023680353  -3.0162466766
H    0.8334629053   3.6114068048   1.6935554061
H    4.1062289900   1.0971512561   1.9108335970
*