! 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    1.2900839540   0.7944285985  -1.3632000994
N    0.7209179830  -1.9180716895  -0.4449349718
N   -0.2699953500  -1.5949124714  -1.2855147514
N   -1.0193982069  -2.9863519781   0.2991455853
C    3.5176930616   0.7121814796  -0.4454579728
C    2.0634498656   0.1687306468  -0.3754981782
C    4.1052257188   0.2402813494   0.8885588085
C    1.6874475085   0.4316245981   1.0755992975
C    2.9583748937   0.3661381888   1.8987328124
C    2.0447534988  -1.3619561189  -0.5980297208
C    3.4796898926   2.2432094875  -0.4727134840
C    4.3156265814   0.2175203447  -1.6441610714
C    0.4990861460   0.6417410052   1.6425456168
C    0.2535137518  -2.7314522661   0.4989743368
C   -1.2904775884  -2.2522472971  -0.7934251732
H    4.9786716807   0.8284341325   1.1733799526
H    4.4431991580  -0.7958185288   0.8111471715
H    3.0581729461   1.2693406877   2.5033156047
H    2.9400686593  -0.4712042708   2.5991632929
H    2.6916014868  -1.8826221820   0.1059899570
H    2.3942566368  -1.5984658693  -1.6031108027
H    4.4922858537   2.6364012020  -0.3647242203
H    3.0799540511   2.6261512682  -1.4115510320
H    2.8796742104   2.6658942505   0.3360408530
H    4.4909440571  -0.8590434201  -1.6218224439
H    3.8218070320   0.4606463694  -2.5868745537
H    5.2971686403   0.6953138166  -1.6604728917
H    0.4670911092   0.2993548054  -1.4899579094
H    0.8697143958  -3.1257783567   1.2915927127
H   -2.2650695002  -2.2076400352  -1.2527116041
C   -0.8477274519   0.7282693526   1.0510399730
C   -3.4494484245   0.8230285416   0.0558534362
C   -1.1921009289   1.6150493188   0.0307034792
C   -1.8573182705  -0.0684040367   1.5933769537
C   -3.1505169366  -0.0370693187   1.0996554300
C   -2.4821678114   1.6602973135  -0.4751903872
H   -0.4514221888   2.2912237194  -0.3703113481
H   -1.6254543944  -0.7410239659   2.4091660614
H   -3.9112316880  -0.6778250349   1.5243648328
H   -2.7277002698   2.3523306151  -1.2693672518
Cl  -5.0628525397   0.8701729880  -0.5778002813
H    0.5015175933   0.7194639816   2.7283674610
*