! 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    1.0000755156   2.3190596712   1.0397299152
N   -0.9168612845   1.4988300144   0.1803374984
N   -1.3255051731  -0.7714161835  -0.1169309807
N   -2.8960299212   0.7983430533  -0.7540084097
C    2.1790939300  -0.2879104634   1.2862804081
C    3.2812759841   0.0423596906   0.2740192848
C    0.7901730135  -0.0346723011   0.7751961794
C    3.2588314640  -0.8229055637  -0.9779818964
C   -0.0851159362  -1.0142939663   0.3711017308
C    0.3568308665   1.3261401367   0.6948089596
C   -1.7102357527   0.4743310030  -0.2171157183
C    4.3380950740  -0.4293615764  -1.9754380710
C    0.2812549603  -2.4652955166   0.4492045878
C   -3.9462369235  -0.1698351631  -0.9978317990
C   -4.7836622232  -0.4736446137   0.2321129997
H    2.3447635520   0.3111123988   2.1856583888
H    2.2842532004  -1.3280790716   1.6001894005
H    3.2095301950   1.0959820029  -0.0102452583
H    4.2505034311  -0.0711731093   0.7696006577
H    3.3870918843  -1.8726880197  -0.6964151112
H    2.2790332710  -0.7522468639  -1.4593737250
H   -1.2517976229   2.4521305158   0.1102043352
H    4.3141891985  -1.0617510638  -2.8639052108
H    5.3348970956  -0.5149344293  -1.5384085238
H    4.2128992597   0.6040180892  -2.3048190816
H   -0.5379963315  -3.0862082347   0.0949511276
H    0.5143252260  -2.7640167321   1.4723298586
H    1.1614252169  -2.6892973804  -0.1544265914
H   -3.1885571937   1.7608997305  -0.6865701011
H   -4.5772052295   0.2361611874  -1.7871293043
H   -3.4976977761  -1.0791525042  -1.3908441346
H   -5.2629984578   0.4287655081   0.6141691909
H   -5.5692321587  -1.1883838642  -0.0149009029
H   -4.1784483175  -0.9019190198   1.0315264938
*