! 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  -1.1318678604   2.4135228706  -1.3052714827
Cl  -5.3776165421  -0.6447631894  -0.1511535662
O    2.7351172820   1.3660687525   1.9825533025
N    1.2499115456  -1.3887253397   0.2469516617
N    1.7680971193  -2.4214538436   0.9255805423
N    0.6777466652  -3.1465179478  -0.8954244315
C    3.6599950671   0.8078378647  -0.2330416733
C    2.8290560187   0.3587510012   1.0021868520
C    3.7417253202  -0.3276758077  -1.2551408838
C    5.0824068012   1.1233929395   0.2431084839
C    3.0625104227   2.0468144510  -0.8949305006
C    1.4160551147  -0.0497265646   0.6671271160
C    0.3703544880   0.7737876575   0.7201972081
C   -1.0322652195   0.4025141122   0.4944647362
C    0.6072176143  -1.8430048722  -0.8358653980
C   -1.8294679948   1.1168027279  -0.3977803626
C   -1.6309828947  -0.6492636676   1.1878573437
C    1.3971812975  -3.4453450207   0.2048065577
C   -3.1632576463   0.8085556157  -0.6086296809
C   -2.9595659702  -0.9828028951   0.9970661033
C   -3.7146747233  -0.2469082247   0.0971823037
H    3.3346830089  -0.5252623927   1.4162728667
H    4.4761491266  -0.0820739874  -2.0240316129
H    4.0528150353  -1.2711443385  -0.8004758547
H    2.7960819357  -0.4954779148  -1.7719210740
H    5.7245350997   1.3439415501  -0.6108846394
H    5.5263657153   0.2795667529   0.7764819742
H    5.1299958357   1.9991103132   0.8945035961
H    2.0660924996   1.8584634658  -1.2980068768
H    3.6920537334   2.3648708369  -1.7279400042
H    2.9903981635   2.8877059527  -0.2040801015
H    0.5655155726   1.8135252272   0.9517803194
H    3.6264535876   1.6095380887   2.2522082351
H    0.1280652013  -1.1963923401  -1.5533019689
H   -1.0489291761  -1.2107717928   1.9066817045
H    1.6541756669  -4.4546218304   0.4845210080
H   -3.7549169064   1.3772685795  -1.3119725662
H   -3.3990579523  -1.8001767907   1.5508054121
*