! 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   -0.6095592324  -2.6488653772  -0.7967898340
O    2.5590765622   2.5759432889   0.0590157914
O    0.5200632484   3.3715213141   0.5256431672
N   -0.8382459661  -0.4210184579  -0.4185970572
N    1.2089494676  -1.3189581081  -1.0770630653
N   -1.4638269892   1.5795547292   0.2243092817
N    0.8685335975   1.1920743793  -0.1815578978
C    3.3326919692  -2.2508476176  -0.2664058819
C    2.1931920320  -2.3678075338  -1.2680368110
C   -2.2329333673  -0.4581920836  -0.2517137080
C    2.9059097358  -2.4398391307   1.1829411419
C   -2.6105324282   0.8193887547   0.1536585202
C   -0.3905535935   0.8527242427  -0.1178858714
C   -0.0606956937  -1.5618113899  -0.7711020849
C   -3.1923273791  -1.4443966068  -0.4264852752
C   -3.9226994644   1.1679729018   0.4065348546
C    4.0705746772  -2.2982373402   2.1511637203
C   -4.5155939328  -1.1004052455  -0.1746359957
C   -4.8798515051   0.1789270550   0.2366619277
C    1.2376631835   2.4510192765   0.1644292453
C    3.1205722254   3.8411681565   0.3928227070
H    3.8223029966  -1.2783882276  -0.3852739507
H    4.0830298268  -3.0010734884  -0.5303060765
H    1.7049803021  -3.3365294654  -1.1770206175
H    2.5873663515  -2.3045604214  -2.2839068822
H    2.1333160254  -1.7106832534   1.4422281100
H    2.4477156866  -3.4263485785   1.2986444393
H    1.5465063008  -0.3713682082  -0.9145042022
H   -2.9465066798  -2.4434148562  -0.7431371529
H   -4.1851978604   2.1688033277   0.7200929466
H    4.8501921935  -3.0344115880   1.9475387685
H    4.5262500364  -1.3090159030   2.0775448923
H    3.7499750200  -2.4355015130   3.1843180668
H   -5.2799067861  -1.8543562883  -0.3039540195
H   -5.9200887845   0.4064311677   0.4244805145
H    2.7639766070   4.6295720612  -0.2704330437
H    2.9103820958   4.1178131069   1.4262667352
H    4.1942659959   3.7323826191   0.2674726113
H   -1.3939668331   2.5510640356   0.4933829165
*