! 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    0.4896769101   2.0374746544  -0.9246149544
N   -1.3862506963   0.8362151776  -0.5612514824
N   -1.3888922744  -1.4591988023  -0.1811036699
N   -3.3732135453  -0.3168856337  -0.2326979088
C    2.1834831716  -0.2954369824  -0.6980632158
C    2.8778137227   0.0104246573   0.6299292215
C    0.6882539899  -0.3072363387  -0.5876728803
C    4.3962640937   0.0039325037   0.5187724370
C   -0.0449983586  -1.4396664220  -0.3186461640
C   -0.0086495289   0.9315181176  -0.7076144171
C   -2.0328007128  -0.3242135895  -0.3109429120
C    5.0830555450   0.2986002405   1.8433477948
C    0.6295165760  -2.7666534834  -0.1579797935
C   -4.1918681615   0.8646848399  -0.0330652923
C   -4.1205883364   1.4356036740   1.3732261790
H    2.5404710670  -1.2563357753  -1.0756893012
H    2.4896302259   0.4475030857  -1.4386900405
H    2.5412236413   0.9847444105   0.9972749184
H    2.5659291402  -0.7232980810   1.3804545400
H    4.7265936603  -0.9695022418   0.1433403608
H    4.7085478273   0.7396273196  -0.2285363728
H   -1.9049841834   1.7008646931  -0.6523223849
H    6.1691595981   0.2893080304   1.7435531946
H    4.8166242372  -0.4410329881   2.6007044506
H    4.7968693878   1.2791618080   2.2281388045
H   -0.0880133952  -3.5321550588   0.1263476348
H    1.4101598306  -2.7305118310   0.6027202008
H    1.1076037951  -3.0797568376  -1.0878693077
H   -3.7657258324  -1.1902227388   0.0837924344
H   -3.9311141905   1.6232558599  -0.7732627911
H   -5.2146701491   0.5747856031  -0.2642413531
H   -4.7800400497   2.2994832147   1.4569755070
H   -4.4389600223   0.6977995257   2.1097412588
H   -3.1136934977   1.7621946895   1.6353278766
*