! 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   0.3491903028  -1.1036762334   2.2802921806
Cl   0.4926303356  -5.1836357546  -1.1386807171
O   -0.5120017908   1.2010423723   0.6715439664
O    0.1542250225   1.4476742698  -1.4312105826
N    1.8915755223   2.6910699479   0.4275571148
N    1.6095562462   3.2461789113   1.6088964712
N    1.9497799352   4.8313521726   0.0567241178
C    0.4662621508   0.7980786704  -0.2343225096
C   -1.7187869720   1.4534302628  -0.0434305043
C   -1.2611511105   1.4921665670  -1.5103243690
C   -2.7788006001   0.4033602709   0.2370111138
C    1.8474819065   1.2692013304   0.2211828152
C    0.4795891038  -0.7199804115  -0.4256907325
C   -4.1022804034   0.7314302074  -0.4438976022
C    0.4152080100  -1.6259722723   0.6317784759
C    0.5832702716  -1.2486290604  -1.7090778697
C   -5.1734722538  -0.3074957927  -0.1507708896
C    0.4172182156  -2.9969554417   0.4223936368
C    0.5894885726  -2.6123301211  -1.9485660869
C    2.0794405386   3.6452842436  -0.4846034131
C    0.4981920701  -3.4769334334  -0.8727593054
C    1.6624754536   4.5226142731   1.3354649418
H   -2.0845905916   2.4332864749   0.2772808872
H   -1.6460905072   0.6369745944  -2.0776414895
H   -1.5507891442   2.4054416736  -2.0277179974
H   -2.9345657596   0.3332806156   1.3170339276
H   -2.4250611675  -0.5781731129  -0.0960571399
H    2.5819307548   1.0002217130  -0.5373918108
H    2.1377759699   0.7775143391   1.1468257597
H   -3.9603134357   0.8051716051  -1.5265028911
H   -4.4460095930   1.7164385790  -0.1148574068
H    0.6569101804  -0.5809101032  -2.5559371670
H   -5.3692478389  -0.3823366422   0.9203756810
H   -6.1149633875  -0.0585436771  -0.6414964243
H   -4.8715707164  -1.2966497026  -0.4997373661
H    0.3564239020  -3.6763680980   1.2611222508
H    0.6631295192  -2.9863768750  -2.9599300757
H    2.3278417295   3.4350567299  -1.5122644614
H    1.4895210031   5.2681988522   2.0956540361
*