! 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   -0.7314833850  -2.6950183777  -0.6866291091
O    2.5687426052   2.4289124878   0.1616071036
O    0.5487565688   3.3072363346   0.5602527726
N   -0.9123190621  -0.4494634501  -0.3916903222
N    1.1311435607  -1.4235183204  -0.9478840167
N   -1.4959532309   1.5767537537   0.2088213684
N    0.8344790677   1.1111880711  -0.1211073991
C    2.8655088684  -2.7752303768   0.1921928189
C    2.0746177795  -2.5167291390  -1.0825544226
C   -2.3119104051  -0.4419271399  -0.2706974185
C    3.7721325020  -1.6185723386   0.5960412208
C   -2.6630484043   0.8511687716   0.1083457556
C   -0.4355174087   0.8130667770  -0.0911893535
C   -0.1545377474  -1.6222409112  -0.6764148845
C   -3.2930170073  -1.4010827574  -0.4718817491
C   -3.9725123717   1.2403901225   0.3123115019
C    4.5637644120  -1.9121468089   1.8606750514
C   -4.6133191462  -1.0159740286  -0.2691357929
C   -4.9521242452   0.2777472197   0.1186347945
C    1.2409896357   2.3567684599   0.2284998344
C    3.1698464740   3.6762397295   0.4948176479
H    3.4736423296  -3.6701525158   0.0314550548
H    2.1727238681  -3.0131228248   1.0054509823
H    1.5378954927  -3.4126186012  -1.3867103351
H    2.7561379634  -2.2687139015  -1.8980215538
H    4.4618986611  -1.4008998305  -0.2250992840
H    3.1840158424  -0.7086342186   0.7480385080
H    1.4908362545  -0.4836425220  -0.7909169590
H   -3.0640397659  -2.4090472080  -0.7730033637
H   -4.2176546912   2.2512900288   0.6070772658
H    3.9020790622  -2.0942416642   2.7093602594
H    5.1933291746  -2.7954684106   1.7391245747
H    5.2147225031  -1.0781719573   2.1252678676
H   -5.3954779019  -1.7475838264  -0.4188512427
H   -5.9908378257   0.5381007863   0.2686153672
H    2.8453901432   4.4739076081  -0.1736120235
H    2.9615648690   3.9628748894   1.5256925832
H    4.2402346813   3.5310139242   0.3779401339
H   -1.4039166415   2.5495090157   0.4674111398
*