! 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  -5.8265554127  -1.2972572281  -0.6816192703
O    0.0143706578   1.8720290619   0.0200921384
N    1.4056402795   1.7561135221  -0.1693183868
N    4.7463019661  -1.4864088924   0.9116437687
C    1.6026246749   0.2920292964  -0.2057174029
C    0.6821481680  -0.2031852662   0.9207283716
C   -0.4349445968   0.8519289872   0.9169893779
C    3.0595473918  -0.0739531070  -0.0559490773
C    1.1226180040  -0.2478011467  -1.5564496953
C   -1.7825581416   0.3426336981   0.4759813769
C    2.0716406547   2.4277714673   0.9399197072
C    4.0322461861   0.5326033686  -0.8485560280
C    3.4836339700  -1.0834564384   0.7977906854
C   -2.4193919512  -0.6123684885   1.2660954697
C   -2.4245629763   0.7894183825  -0.6727225820
C    5.3502729870   0.1318446652  -0.7320794609
C   -3.6575024962  -1.1247108037   0.9184173839
C   -3.6687546725   0.2875170452  -1.0337233585
C    5.6580212214  -0.8809939842   0.1632271351
C   -4.2742867730  -0.6671446772  -0.2364613521
H    0.3124691133  -1.2115165735   0.7382772592
H    1.1840894045  -0.2097985629   1.8878494983
H   -0.5443125763   1.2730575284   1.9230854717
H    1.2473096638  -1.3303238675  -1.5869670642
H    1.6992848376   0.1791292426  -2.3773367977
H    0.0700159371  -0.0345979685  -1.7396353731
H    1.7066651766   3.4518554519   0.9916582252
H    3.1400650888   2.4806659929   0.7442740373
H    1.9305698813   1.9614278431   1.9212448018
H    3.7672384796   1.3153377562  -1.5481386764
H    2.7720191923  -1.6113302613   1.4211600415
H   -1.9449014152  -0.9687503763   2.1726069241
H   -1.9665690362   1.5341493293  -1.3081568408
H    6.1280174101   0.5911384112  -1.3259835244
H   -4.1335952517  -1.8678730320   1.5431817901
H   -4.1544968462   0.6450094411  -1.9313432540
H    6.6812541641  -1.2193140965   0.2745069496
*