! 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
O    1.1780708797   0.7070052923  -1.3410199945
N    0.7788799217  -2.0361376413  -0.4416622505
N    0.4038639556  -2.6078905847   0.7049426608
N   -1.2393887930  -2.7578987238  -0.8160531087
C    3.4381023903   0.7378439736  -0.4789650703
C    2.0108242377   0.1291543788  -0.3700671151
C    4.0804522870   0.2752210150   0.8364185265
C    1.6646994890   0.3953970774   1.0832684640
C    2.9502388007   0.2974008553   1.8759121048
C    2.0642362667  -1.3989026016  -0.6056356672
C    3.3395060782   2.2656723484  -0.4898530514
C    4.2284224681   0.2866445248  -1.7005887773
C    0.4942398432   0.6623260951   1.6591576347
C   -0.2117275801  -2.1287607923  -1.3323135060
C   -0.8079920169  -3.0183073726   0.4307347783
H    4.9171078119   0.9163098048   1.1165975913
H    4.4887112061  -0.7320895460   0.7280360706
H    3.0387638453   1.1460329502   2.5553182773
H    2.9602038524  -0.5992400185   2.4993282594
H    2.7586809899  -1.8981281669   0.0668803552
H    2.3955343701  -1.5957832441  -1.6245081349
H    4.3394964398   2.6964399106  -0.4128357053
H    2.8932970496   2.6412688680  -1.4104563391
H    2.7524240905   2.6563763719   0.3437876853
H    5.1959006359   0.7918257320  -1.7210132683
H    4.4340458457  -0.7845543556  -1.7006308898
H    3.7153183498   0.5330430795  -2.6321084414
H    0.2539578313   0.5206312241  -1.1435754541
H   -0.1308867713  -1.7623140257  -2.3436791345
H   -1.4024703691  -3.5431035166   1.1619483471
C   -0.8495184018   0.7869356829   1.0594713225
C   -3.4391742882   1.0038929943   0.0528943508
C   -1.1842050551   1.7938109951   0.1520789021
C   -1.8604517402  -0.0784383759   1.4815512574
C   -3.1474799558   0.0172235504   0.9814613114
C   -2.4696319427   1.9012432151  -0.3608396173
H   -0.4422491654   2.5228970768  -0.1457313544
H   -1.6383869775  -0.8455488615   2.2114324605
H   -3.9113157776  -0.6724425378   1.3135445250
H   -2.7067495461   2.6860445497  -1.0660658028
Cl  -5.0463428834   1.1261040169  -0.5846020072
H    0.5039426499   0.7607199111   2.7428131524
*