! 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   -3.3048810204  -1.3250999064   0.3020813880
O   -0.1905929215   3.4235591285  -0.4629460425
O   -1.6834211874   1.3744971546   0.4760727275
O   -2.1719685763  -0.7423462690  -1.5260544948
N   -0.0230555789  -0.1232272543   0.2431397443
C   -0.9438228554  -1.2286811052   0.4915611741
C    1.3760565565  -0.3953559451   0.2079077022
C    2.1643705831  -0.1484480855   1.3368426852
C    1.9285295488  -0.9208370703  -0.9700055541
C   -1.1855393970  -1.4835243205   1.9704713022
C   -0.5074067154   1.1382826717   0.2438146949
C   -2.1977083833  -1.0374945689  -0.3569415648
C    3.5244962849  -0.4498702848   1.2687483912
C    3.2861451530  -1.2115550651  -0.9927429689
C    1.6375336540   0.4487611515   2.6098803010
C    1.0909701204  -1.1501214464  -2.1906980366
C    4.0808155008  -0.9815082910   0.1211013056
C    0.4770942898   2.2556254925  -0.0836363390
C   -4.5368634966  -1.2448512771  -0.4171905705
C   -0.6990442177   3.3677341023  -1.7800248647
H   -0.4669181919  -2.1226594912   0.0767298620
H   -1.7868989008  -2.3793842676   2.1140921506
H   -0.2331406751  -1.6615850547   2.4682572245
H   -1.6820000581  -0.6492122352   2.4630569791
H    4.1488824648  -0.2609787014   2.1335489010
H    3.7285165672  -1.6131636512  -1.8958502384
H    1.8840412022  -0.1872793851   3.4604389025
H    2.1006632298   1.4188498246   2.7972828735
H    0.5612843120   0.5960408956   2.6195184093
H    0.4622991812  -2.0372111389  -2.0918438569
H    0.4246772099  -0.3131690424  -2.3961026194
H    1.7248964619  -1.3003676703  -3.0631101036
H    5.1380247185  -1.2097960986   0.0874803174
H    1.0608790244   2.4887176965   0.8117769188
H    1.1921013691   1.9310163973  -0.8506514364
H   -4.5591723732  -1.9473946708  -1.2495215371
H   -4.7150113878  -0.2358593972  -0.7879500968
H   -5.3141697159  -1.5069909493   0.2942705649
H   -1.1780926415   4.3229280940  -1.9890897486
H   -1.4439291941   2.5776263221  -1.9155608286
H    0.0997060684   3.2144626867  -2.5140317975
*