! 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   -0.5112367892  -1.3858407635  -0.6766042664
O   -1.0202674461  -0.0366425860   1.0597015598
O    5.3975198745   2.1313840386  -0.3492012667
O    5.8685099931   0.0139301019   0.2437681014
N   -2.5519204553  -0.5627917954  -0.5599602402
N    3.7336280644   0.7021854411  -0.2323102535
C   -3.6921797690   0.1329222830  -0.1350621408
C   -6.0995347535   0.3634481939  -0.3558588131
C   -4.9120263292  -0.2794545743  -0.6745152553
C    2.9778460254  -0.4562364172  -0.0568396540
C    0.8070959004  -1.4635455521  -0.2619218230
C   -3.6594178639   1.2144835512   0.7394432284
C   -6.0586152358   1.4398571532   0.5302111268
C    1.6351283154  -0.3710337610  -0.4253252179
C   -4.8502097268   1.8520871770   1.0638542173
C   -7.4017575286  -0.0886522079  -0.9453422841
C    3.4662919661  -1.6545876039   0.4655974029
C    1.2703112702  -2.6595478128   0.2538492449
C    2.6090806326  -2.7358977957   0.6061969919
C   -1.3466541032  -0.5962234865   0.0411395960
C    5.0718399677   0.8669253190  -0.0821743635
C    6.7767497921   2.4784283953  -0.2436626430
H   -4.9302297913  -1.1196928456  -1.3597124927
H   -2.7347671085   1.5760032571   1.1591843950
H   -6.9726465562   1.9562340651   0.7963045753
H    1.2450032977   0.5479211452  -0.8465383158
H   -4.8221973956   2.6938321071   1.7433083490
H   -2.6712188151  -1.1558039520  -1.3688193640
H    4.4957382641  -1.7586157719   0.7641275100
H    0.6087484012  -3.5068807001   0.3718460223
H   -7.8873657412   0.7200448677  -1.4931326203
H   -7.2672602076  -0.9223449722  -1.6326878528
H   -8.0964607615  -0.4075995871  -0.1670569597
H    2.9984099538  -3.6600710132   1.0109895104
H    3.2209290589   1.5133314033  -0.5470075395
H    7.3856752608   1.9255458701  -0.9582360890
H    7.1571467894   2.3137491685   0.7637746314
H    6.8323819065   3.5379777337  -0.4751156579
*