! 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    2.6416799204   0.5404278121   0.9482244545
O    0.4573171120   1.6294877954  -0.6393618728
O    3.5653852168   1.2846434153  -0.9415602046
N    0.6187608056  -0.6056561240  -0.5346753103
C    1.9774327335  -0.5096439835  -1.0696652217
C   -0.0397259446  -1.8713884158  -0.4749539013
C   -0.5890985745  -2.3870019934  -1.6570118354
C   -0.1188246337  -2.5686294968   0.7315319754
C   -0.0660801305   0.5537877443  -0.3835927615
C   -1.4928596346   0.4575788864   0.1174251024
C    2.7348384910  -1.8277367668  -0.9611518453
C    2.7881504646   0.5637663546  -0.3615520871
C   -1.2217817538  -3.6225104007  -1.6120961103
C   -0.7625467080  -3.8056270609   0.7360179506
C   -2.0167022627   1.7961556002   0.5439801062
C   -0.4895795805  -1.6373202525  -2.9518201542
C    0.4315350764  -2.0323974889   2.0184592517
C   -1.3073324423  -4.3299513645  -0.4215274863
C   -1.6794374009   2.3094112043   1.7936401402
C   -2.8257135388   2.5522710798  -0.2961416397
C   -2.1414847247   3.5535709147   2.1961664051
C   -3.2929684655   3.7980255503   0.1040113031
C   -2.9508938376   4.3024987479   1.3506858552
C    3.3574317710   1.5135466348   1.7091848182
H    1.9443011411  -0.2112282022  -2.1213964754
H   -1.5535991333  -0.2542424727   0.9428948212
H   -2.1133156222   0.0365257930  -0.6797032969
H    3.7511787149  -1.6901348908  -1.3293368557
H    2.7898717755  -2.1857495054   0.0664745990
H    2.2749078758  -2.6026868916  -1.5720451978
H   -1.6524416278  -4.0331827792  -2.5167870631
H   -0.8345876222  -4.3591427098   1.6644107078
H   -0.7985870968  -0.5950615682  -2.8613758401
H    0.5311813916  -1.6356063592  -3.3395675874
H   -1.1176476525  -2.0970419679  -3.7126727413
H    1.0297099340  -1.1362797480   1.8844937846
H   -0.3775880911  -1.7905115263   2.7108344107
H    1.0543039401  -2.7792345549   2.5118764986
H   -1.8022521146  -5.2920220722  -0.3991275559
H   -1.0524083023   1.7299507266   2.4615831908
H   -3.0983646716   2.1640692884  -1.2702043540
H   -1.8715322289   3.9385100620   3.1708612646
H   -3.9247980148   4.3736625715  -0.5597600055
H   -3.3140827980   5.2726117001   1.6635523351
H    3.0757786319   1.3484721984   2.7447617724
H    3.0778184481   2.5259179911   1.4184303345
H    4.4349086026   1.3895243164   1.6057014992
*