! 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   -0.5081435208  -2.5054933156   0.3200581494
O    2.3914591885   2.9386943244   0.2627129525
O    0.3446447342   3.6697375533  -0.2692723890
N   -0.8498802702  -0.2624011558   0.1946779138
N    1.2001616822  -1.1312368763   0.8928759206
N   -1.5509704186   1.7636476830  -0.2579458589
N    0.7781253992   1.4464537131   0.2229908139
C    2.9303555335  -2.5114406865  -0.2280498326
C    2.1879121431  -2.1789604643   1.0583191767
C   -2.2322684447  -0.3473118847  -0.0403510595
C    3.9750710791  -3.5992061150  -0.0184242061
C   -2.6591893983   0.9477077032  -0.3214092605
C   -0.4566324482   1.0556052986   0.0572375315
C   -0.0293386051  -1.3947461322   0.4632726818
C   -3.1436457001  -1.3920686159  -0.0108773073
C   -3.9782607446   1.2580120307  -0.5888602474
C    4.7890330494  -3.8748960888  -1.2728790319
C   -4.4734678405  -1.0867124444  -0.2773657601
C   -4.8881359584   0.2113739208  -0.5635895373
C    1.0906487421   2.7541270858   0.0438676524
C    2.8940954281   4.2633047631   0.1146697928
H    3.4140818849  -1.6055862334  -0.6059382836
H    2.2153155600  -2.8277051379  -0.9933025359
H    2.8933003572  -1.8352930798   1.8147997884
H    1.7040143739  -3.0669321973   1.4640464616
H    4.6471546950  -3.3065560168   0.7938977190
H    3.4827078217  -4.5189308678   0.3103867381
H    1.5142992132  -0.1649554724   0.8408855343
H   -2.8552495356  -2.4058382661   0.2088451247
H   -4.2826927242   2.2729491558  -0.8038809815
H    4.1512755314  -4.1913454595  -2.1001582060
H    5.3290021531  -2.9834309550  -1.5968447459
H    5.5250045275  -4.6621259494  -1.1057792323
H   -5.2020873877  -1.8855882048  -0.2599533393
H   -5.9317695978   0.4087346500  -0.7663457791
H    2.4313070607   4.9528645445   0.8207520670
H    3.9581108737   4.2027082169   0.3258708818
H    2.7550193960   4.6377239073  -0.8995746041
H   -1.5178946647   2.7611581490  -0.4161631706
*