! 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   -0.6870270718  -2.7171920577   0.5179505485
O    2.5555186152   2.5284745477   0.3028403395
O    0.5536510638   3.3809456762  -0.2207116349
N   -0.8811260871  -0.4620176212   0.3185359103
N    1.1210466777  -1.4345954019   1.0065392795
N   -1.4560715873   1.5937594420  -0.1790683018
N    0.8461959702   1.1472621024   0.3226116722
C    3.3252509824  -2.2645304695   0.3225986695
C    2.0856444914  -2.5062812001   1.1706378738
C   -2.2640636240  -0.4687001506   0.0703874464
C    3.0604499052  -2.2758121042  -1.1769297541
C   -2.6099846516   0.8437550685  -0.2402565890
C   -0.4088327929   0.8276345780   0.1576660200
C   -0.1313316240  -1.6373690816   0.6149186360
C   -3.2369471599  -1.4566345368   0.1017398996
C   -3.9038999357   1.2273461599  -0.5335919523
C    4.3190567170  -2.0096903285  -1.9884180659
C   -4.5419768965  -1.0776558157  -0.1917276723
C   -4.8748314272   0.2373148192  -0.5059024056
C    1.2426696663   2.4262373285   0.1059393991
C    3.1431909797   3.8111915935   0.1091135935
H    4.0552682541  -3.0387699293   0.5734654654
H    3.7824950410  -1.3124711247   0.6129170960
H    2.3662167112  -2.5779801666   2.2231822565
H    1.6204934185  -3.4531740437   0.9021014297
H    2.6348815161  -3.2426161722  -1.4611912956
H    2.3064271904  -1.5252883236  -1.4287341798
H    1.4713625196  -0.4794001444   0.9422749570
H   -3.0135541814  -2.4820475730   0.3416779978
H   -4.1425921334   2.2547675740  -0.7713560407
H    5.0860658696  -2.7612815609  -1.7928938178
H    4.1134895116  -2.0202359683  -3.0593063643
H    4.7457466511  -1.0346680568  -1.7457186124
H   -5.3167062238  -1.8318912930  -0.1742135101
H   -5.9015476973   0.4921379354  -0.7297928008
H    4.2043303711   3.6846695878   0.3049902670
H    3.0117461751   4.1662200281  -0.9132373090
H    2.7405905857   4.5501805609   0.8020608097
H   -1.3630564980   2.5841810721  -0.3564158602
*