! 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    0.1834618594  -2.3115408220   0.0544202311
O    0.5104447330   2.1964806470   0.3660075191
N    0.4234095890  -0.0446753095  -0.0031524354
N   -1.6799012384  -1.0512851232   0.1960294504
N   -1.5206741217   1.2760203905   0.1127289284
N   -3.5728947722   0.2985153932  -0.0734577934
C    1.8889714001  -0.1719821026  -0.1346499194
C    2.4609158741   0.6197462103  -1.3078762805
C    2.6247506192   0.1081296899   1.1735726896
C    3.9487964759   0.3075856903  -1.4528297549
C    4.1144563301  -0.1792850797   1.0075982315
C    4.7062125480   0.5982133946  -0.1623792737
C   -0.3102137409  -1.2006669137   0.0717800998
C   -0.1763579835   1.2026820518   0.1930319796
C   -2.2433958690   0.1933809007   0.0655739752
C   -2.4155092412  -2.2343682522   0.6403518251
C   -4.3662460215  -0.6382120842  -0.8576782299
C   -4.1866759296   1.6042201893   0.0875570871
H    2.0527111520  -1.2227029280  -0.3704071460
H    2.3349959987   1.6920686138  -1.1599713593
H    1.9323487400   0.3517185532  -2.2255124420
H    2.2089575434  -0.5175035647   1.9675027392
H    2.4867485219   1.1470790599   1.4745270875
H    4.3636899854   0.8907131737  -2.2776955310
H    4.0797231333  -0.7461199148  -1.7214038137
H    4.2635954451  -1.2515538919   0.8424353284
H    4.6385724836   0.0674461823   1.9333161700
H    5.7640127951   0.3525145587  -0.2815893114
H    4.6570332830   1.6710820523   0.0521778384
H   -2.5923538932  -2.9377492199  -0.1700594445
H   -3.3641182648  -1.9326528649   1.0684598282
H   -1.8502039502  -2.7337769226   1.4222625775
H   -4.8546140537  -0.0890057897  -1.6634800204
H   -5.1372408303  -1.1177160679  -0.2554944326
H   -3.7555975720  -1.4025320513  -1.3264209442
H   -5.2466339033   1.4552152731   0.2841299199
H   -4.0839975633   2.2219951199  -0.8065969330
H   -3.7581804464   2.1335431727   0.9326783995
*