! 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    2.9906521867   2.4061568677   0.5605054908
O    1.0656754810   0.6404752406   0.9233556663
N    2.1908515904  -1.1292026383  -0.0730156777
N    2.0913782894  -1.8121671436  -1.2185183941
N    2.5613747490  -3.1939516030   0.4843340697
C    4.5756394235   0.8453179707  -0.4804793198
C    3.3260017589   1.0454012686   0.4157909074
C    2.0430109149   0.3101303010  -0.0246799177
C    5.1449611221  -0.5732484200  -0.3656657669
C    4.2782452975   1.1520411481  -1.9497534181
C    5.6599816160   1.8064681984   0.0233590938
C   -0.2552042350   0.4929031429   0.6301680265
C    2.4702754765  -1.9653619602   0.9303679672
C   -1.1382485001   0.9389551173   1.6103589936
C   -0.7543553302  -0.0557994935  -0.5446579931
C    2.3283834740  -3.0395250692  -0.8345330358
C   -3.0277320316   0.2884869943   0.2421730790
C   -2.5019741744   0.8385608148   1.4138698030
C   -2.1278966834  -0.1510892156  -0.7242822643
C   -4.4850805117   0.1721202881   0.0403251819
C   -5.0331107283  -0.9519535183  -0.5808374716
C   -5.3499984516   1.1813137455   0.4681997687
C   -6.4028836426  -1.0636330135  -0.7680409478
C   -6.7198854223   1.0695184150   0.2812952552
C   -7.2527143734  -0.0535879679  -0.3373498742
H    3.5836513884   0.6948796528   1.4223781774
H    1.7515648040   0.6249832102  -1.0313635710
H    4.5628047080  -1.3204059244  -0.9021148919
H    6.1443775923  -0.5964957621  -0.8035650366
H    5.2430588107  -0.8896939268   0.6748933031
H    3.5763713383   0.4424212060  -2.3909564521
H    5.1976530323   1.0939450411  -2.5345559863
H    3.8770753087   2.1574862934  -2.1029985984
H    6.5840492105   1.6392276704  -0.5321053104
H    5.8805783841   1.6420428851   1.0806572969
H    5.3921655858   2.8547262576  -0.1030752449
H    2.9080817854   2.8069959354  -0.3124044203
H    2.5913092489  -1.6513160585   1.9549145449
H   -0.7503978112   1.3609212264   2.5287031011
H   -0.1098169216  -0.4161495356  -1.3338949147
H    2.3241976544  -3.8602473880  -1.5340283356
H   -3.1656194536   1.1788682451   2.1986040759
H   -2.4934489936  -0.5674294504  -1.6543854606
H   -4.3867262739  -1.7588800580  -0.9029430644
H   -4.9499844177   2.0727168973   0.9353577999
H   -6.8071077728  -1.9474025540  -1.2441198815
H   -7.3719712375   1.8663927006   0.6142013353
H   -8.3213308623  -0.1411080053  -0.4824238795
*