! 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    0.4430880787   2.1897821434   0.0053804034
O   -0.6207850395  -2.2685436666  -0.0003006860
N   -0.1408958430  -0.0283787754   0.0016600263
N    1.5383859923  -1.6499552272  -0.0014275010
C   -1.5734270442   0.3371522440  -0.0005734596
C   -2.3028143390  -0.0893091567  -1.2735164145
C   -2.3081085779  -0.0911970342   1.2686224437
C   -3.7270175911   0.4611115473  -1.2604762522
C   -3.7322505557   0.4593056673   1.2503338070
C   -4.4779787655   0.0280330176  -0.0069469533
C    2.1708121851   0.6134971668   0.0033639581
C    2.4906932717  -0.6905069693  -0.0002917861
C    0.8006325696   1.0186348507   0.0036639104
C    3.3816016239   1.4913028586  -0.0006040909
C    3.9549719278  -0.9429220009  -0.0076591580
C    4.5579004849   0.4803046891   0.0194698505
C    0.1981697769  -1.3659726285   0.0000578372
H   -1.5679446508   1.4259443074   0.0002354728
H   -2.3408955786  -1.1755717269  -1.3592154345
H   -1.7652815471   0.2866201788  -2.1474401145
H   -1.7743004266   0.2832863306   2.1454481129
H   -2.3465141382  -1.1775880978   1.3523951578
H   -4.2542061025   0.1276560879  -2.1568808977
H   -3.6986579884   1.5551162633  -1.3058805401
H   -3.7040524611   1.5532499586   1.2973715816
H   -4.2632241118   0.1246951808   2.1440409394
H   -5.4888170550   0.4423674413  -0.0087872753
H   -4.5877901379  -1.0619165533  -0.0079474008
H    3.4140074461   2.1321381667  -0.8842414506
H    3.4055631601   2.1557672225   0.8654425342
H    4.2500320554  -1.5450941550   0.8542345711
H    4.2422309464  -1.5086915795  -0.8967254925
H    5.2140382159   0.6329520020  -0.8350080626
H    5.1648258686   0.6166034699   0.9123451050
H    1.7905115097  -2.6289088572  -0.0041480577
*