! 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   -4.4563551359   0.6984383180   0.5853014184
O   -1.3385596095  -0.5277946760  -0.5615644396
N   -2.1569042550   1.6364046669  -0.3771069486
N   -2.2786847887   1.9050388801  -1.6786721430
N   -2.1312750671   3.8026106866  -0.4877219028
C   -3.8895316406  -1.6896802077   0.5431540642
C   -3.6519530722  -0.2746442521  -0.0450513500
C   -2.2329582831   0.2811947409   0.1301933551
C   -3.2652555402  -2.7757994588  -0.3369062920
C   -3.3567513099  -1.8085149180   1.9699917293
C   -5.4046562361  -1.9333893039   0.5580554225
C    0.0004549380  -0.4200566435  -0.3447393249
C   -2.0808913033   2.7713014646   0.3170149376
C    0.5921136726   0.4014875159   0.6063414431
C    0.8011191317  -1.2234798560  -1.1518051130
C   -2.2489322547   3.2111090560  -1.6926621840
C    2.7933805426  -0.3909551912  -0.0529344483
C    1.9739280466   0.4068865250   0.7406044810
C    2.1742126911  -1.2073341806  -1.0033115159
C    4.2611494912  -0.3784975187   0.1036440668
C    5.1006460321  -0.5460255457  -0.9999094493
C    4.8472301263  -0.2038536173   1.3592199420
C    6.4795920872  -0.5442352107  -0.8524113351
C    6.2262127204  -0.1972220259   1.5062482822
C    7.0493168488  -0.3695633076   0.4015048605
H   -3.8697014949  -0.3164294844  -1.1213899459
H   -1.9973025022   0.3430648321   1.1982850482
H   -3.5782496853  -2.6761702921  -1.3786770811
H   -2.1781545401  -2.7766973244  -0.3130946166
H   -3.5950141196  -3.7586347729   0.0057798417
H   -2.2660639745  -1.7846355542   2.0125333326
H   -3.6658258015  -2.7592544796   2.4082589732
H   -3.7377150821  -1.0159980201   2.6160077864
H   -5.9270826738  -1.2997564760   1.2756694563
H   -5.6110868838  -2.9668050317   0.8408393319
H   -5.8526325958  -1.7748090995  -0.4266790389
H   -5.3523048818   0.6197709880   0.2450849696
H   -1.9925997077   2.8011660194   1.3915777675
H    0.0187459852   1.0497583652   1.2535656742
H    0.3417187064  -1.8691997652  -1.8891497728
H   -2.3136487003   3.7660696684  -2.6149468773
H    2.4101711358   1.0718814309   1.4745747840
H    2.7688694690  -1.8594437026  -1.6301145511
H    4.6762964805  -0.6617564909  -1.9891830702
H    4.2230803937  -0.0928598286   2.2370187224
H    7.1104598171  -0.6716915997  -1.7223710400
H    6.6577448030  -0.0659313540   2.4897971083
H    8.1250787130  -0.3679218495   0.5167061602
*