! 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   -0.0714549154  -1.0163393729   0.4734083793
O   -3.7512904066   0.4471286525  -0.0387213977
O   -1.7286681358  -0.8621573013   1.9643952330
O    0.3146994304   1.1280744578  -2.1713488919
N   -0.5578506209   1.6350326414  -0.1271966410
N    1.7578750257   1.3884178978  -0.4525691427
N    3.8835412296   0.8406843053  -0.2604342804
C   -0.5452926467   1.1398969212   1.2543524778
C   -1.4252144214   1.9466687862   2.1969638801
C   -1.8761957504   1.8286965354  -0.7343733305
C   -0.8812158070  -0.3529380515   1.2751499435
C    0.4517593220   1.3512974465  -0.9880546086
C   -1.0376342659   3.4148079324   2.2612890353
C   -2.6802161201   0.5810750138  -0.8612294768
C   -0.2514599159  -2.4331174268   0.3195951682
C    0.8806077462  -2.9497115075  -0.5358839419
C   -2.5606969257  -0.5280324714  -1.6330714683
C    2.2435770224  -2.8837026939   0.1545550917
C    2.2939517526   2.2365607142   0.4938838713
C    2.7697270104   0.5774590100  -0.8733241928
C   -3.6214052357  -1.4024660394  -1.2528788148
C   -4.3073211643  -0.7578976392  -0.2812666575
C    3.5989773786   1.8811528244   0.5907305458
C    3.3501233952  -3.3059618997  -0.7564980587
C    4.1203269036  -4.3723099915  -0.5763685548
H    0.4738902386   1.2079223342   1.6395749109
H   -2.4818687377   1.8413184132   1.9481223687
H   -1.3084167112   1.5072065582   3.1883122718
H   -1.7329203084   2.2892288348  -1.7089471601
H   -2.4231417645   2.5588082608  -0.1389476334
H    0.0009675932   3.5411198152   2.5713811672
H   -1.1653139607   3.9284001803   1.3080042162
H   -1.6579105247   3.9330756010   2.9918707494
H   -1.2170608763  -2.6185073335  -0.1550483924
H   -0.2534679027  -2.9160112494   1.2993077288
H    0.8993829850  -2.4060423167  -1.4854418705
H    0.6521917819  -3.9885033119  -0.7842467060
H   -1.8028770559  -0.7062401525  -2.3782330667
H    2.2299701059  -3.5148768064   1.0469265831
H    2.4345133780  -1.8616232359   0.4953955791
H    1.7317626890   3.0259168840   0.9626299555
H    2.6232023261  -0.1803043942  -1.6264388791
H   -3.8371436659  -2.3810495583  -1.6494227846
H   -5.1788497484  -1.0142154920   0.2990055878
H    4.3534075033   2.3242612015   1.2202252936
H    3.5087183280  -2.6852963263  -1.6352922983
H    4.9019955568  -4.6328548936  -1.2783605233
H    3.9980472417  -5.0248751251   0.2807698731
*