! 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    1.1105134972   0.0349013837  -0.8407987728
O   -5.4800091399  -1.4580062299   0.2584688268
O    2.1811813626   0.6205337184   1.0608274359
O   -5.2761836230   0.7708578180   0.5122056302
N   -3.4701940775  -0.5813974602   0.1176758739
N    3.2705916231  -0.3501181558  -0.7066837471
C   -2.4146647253   0.3256318319   0.0320227305
C   -0.0724143950   0.6163416999  -0.4244020489
C   -1.1668076035  -0.2131417878  -0.2921957927
C   -2.5264953143   1.6988743808   0.2459459017
C   -0.1663056466   1.9852328202  -0.2317013002
C   -1.4036734615   2.5033624144   0.1092049639
C    4.5973104856  -0.4209902504  -0.2645336848
C    5.4582747131  -1.2297464200  -1.0078884741
C    5.0986542026   0.2867770972   0.8266309082
C    2.2043233892   0.1486852097  -0.0497908771
C   -4.7883670983  -0.3206964271   0.3127659712
C    6.7966267322  -1.3295456009  -0.6700317846
C    6.4426850242   0.1722811343   1.1562554819
C    7.2999320481  -0.6293854747   0.4181629565
C   -6.9103507893  -1.3814305603   0.3702352893
C   -7.5647200290  -0.9643646871  -0.9258536830
H   -1.0554680664  -1.2780066873  -0.4589978325
H   -3.4665282438   2.1525350275   0.5094913092
H    0.6900282049   2.6333922267  -0.3571691118
H   -1.5044451653   3.5682097091   0.2698612407
H   -3.2303249630  -1.5480653238  -0.0495811546
H    3.0890619200  -0.7576451900  -1.6129246674
H    5.0763970096  -1.7808713442  -1.8588155593
H    4.4673017884   0.9308642090   1.4168995686
H    7.4464031696  -1.9601383519  -1.2621888599
H    6.8194107580   0.7292926630   2.0039051750
H    8.3451702015  -0.7061095229   0.6845929984
H   -7.1899535744  -0.7193278874   1.1903420597
H   -7.2123239376  -2.3909438170   0.6419645853
H   -8.6472656802  -1.0249015189  -0.8099328633
H   -7.2818008967  -1.6260544222  -1.7446879074
H   -7.3191947178   0.0597058773  -1.2043086046
*