! 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    1.0744283433   1.7469356088  -0.5476367183
O   -4.7449368133  -1.3661663082  -0.0696378844
O    1.4237477850   0.2741795501   1.1276417114
O   -2.6080433584  -1.4066073116  -0.7669880625
N   -3.5373815495   0.4519355488   0.1978142552
N    2.9411223007   0.5819776152  -0.5621479107
C   -2.4762445394   1.3553136173   0.2217409276
C   -0.2028195876   2.0260117352  -0.0917886677
C   -1.1811649173   1.0491550855  -0.1877317463
C   -2.7557108371   2.6385538774   0.7013913741
C   -0.4587667556   3.2964852015   0.3833410903
C   -1.7586793142   3.5921811894   0.7734435270
C    3.9522021791  -0.3382245620  -0.2615958326
C    3.8675177340  -1.3033910329   0.7408312013
C    5.1003005572  -0.2773332751  -1.0536470967
C    1.7916598647   0.8022271906   0.1065908573
C   -3.5437842734  -0.8266128759  -0.2582634639
C    4.9230580192  -2.1855295357   0.9316579400
C    6.1428162689  -1.1647424363  -0.8521690383
C    6.0626104967  -2.1283040836   0.1444857649
C   -4.9322942900  -2.7240584905  -0.5016374946
C   -6.3289061736  -3.1378416202  -0.1162601207
H   -0.9296182592   0.0773703992  -0.5802253311
H   -3.7614948958   2.8877356194   1.0162765911
H    0.3274065778   4.0367818441   0.4406483749
H   -1.9954606283   4.5802558794   1.1436110482
H   -4.4097298330   0.7958710259   0.5729490542
H    3.0951166777   1.1463993948  -1.3856955775
H    2.9965481475  -1.3859223575   1.3697454849
H    5.1749059661   0.4691868622  -1.8355320133
H    4.8411103925  -2.9313413799   1.7114336831
H    7.0212243476  -1.0994817015  -1.4802912112
H    6.8757386834  -2.8234305856   0.3032139634
H   -4.1932174218  -3.3691725449  -0.0239477153
H   -4.7923018859  -2.7873429006  -1.5822385694
H   -6.4941976289  -4.1645957420  -0.4413712891
H   -7.0835442590  -2.5124694662  -0.5930352041
H   -6.4758571298  -3.1028809617   0.9631814486
*