! 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   -0.2953368347  -1.3457984679   0.4362083875
O   -2.8349496903   0.0222133697  -0.4286111686
O   -1.7178027672  -1.5528328411   2.1497774954
O    1.9902428024   1.3303043700   1.3420110760
N   -0.1474706138   1.2350420104   0.5635750289
N    1.6501495356   1.6341780083  -0.8789313256
N    2.1137642702   1.2326771265  -2.9942273403
C   -0.6291753463   0.5642821721   1.7632558374
C   -1.7269865456   1.3149247321   2.5071000693
C   -1.1313156189   1.7514145001  -0.3910240381
C   -0.9755749123  -0.8908081455   1.4667562118
C    1.1848152826   1.3958108079   0.4361942004
C   -1.2758249039   2.7062867638   2.9221386874
C   -1.9165467790   0.7288928096  -1.1302627188
C   -0.3689712382  -2.7366504769   0.0935254396
C    0.8593886468  -3.0737856516  -0.7217625580
C   -1.9388303054   0.3389356055  -2.4272870857
C    2.1773355205  -2.7194008526  -0.0221331627
C    2.6351933355   2.5262985847  -1.2341001632
C    1.3891728272   0.8708461887  -1.9789254228
C   -2.9263749147  -0.6883635592  -2.5247808294
C   -3.4302952929  -0.8417516962  -1.2802444313
C    2.8857639170   2.2756280088  -2.5441064102
C    2.2384451725  -3.2335503389   1.3810340499
C    2.2700022377  -2.4675032599   2.4655097614
H    0.2170649886   0.5045386834   2.4539379965
H   -2.6495719282   1.3637838061   1.9265210463
H   -1.9640465095   0.7356038736   3.3993121544
H   -0.6349150451   2.3965842432  -1.1103794385
H   -1.8121944588   2.4070102112   0.1564507416
H   -0.3706133463   2.6604365876   3.5293950630
H   -1.0640663592   3.3517743029   2.0684826524
H   -2.0480292131   3.1967422230   3.5136101976
H   -1.2820872887  -2.9146626696  -0.4788751782
H   -0.4125872098  -3.3427330586   0.9993721641
H    0.8208731525  -2.5749641332  -1.6934466509
H    0.8186320755  -4.1460019162  -0.9267860569
H   -1.3289989656   0.7331331137  -3.2247638645
H    2.3303589294  -1.6375082915  -0.0281424849
H    2.9954972296  -3.1488814772  -0.6063259770
H    3.0298816093   3.2556050222  -0.5476199037
H    0.6944892589   0.0466259767  -1.9574690672
H   -3.2170470543  -1.2342618655  -3.4071921684
H   -4.1898580025  -1.4843415200  -0.8656485136
H    3.5781584422   2.7891128646  -3.1910453374
H    2.2246650045  -4.3143541445   1.4976415632
H    2.2930343872  -2.8927861332   3.4608348237
H    2.2779206948  -1.3850779965   2.3987430716
*