! 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   -0.3906659035  -1.2378731766   1.4450319869
O   -2.4702471126  -0.0903426623  -1.8759661147
O    0.0707914011  -0.9715420213  -0.7249939024
O   -0.2968210428   3.7924884159  -1.4375032610
N   -0.4995021106   1.7755748975  -0.4039194175
N    1.5993850020   2.6292162606  -1.0301118358
N    3.7084845088   3.2663688380  -1.0588910738
C    0.0294375323   0.9693833154   0.6942947647
C   -0.4990968809   1.4244900294   2.0562715742
C   -1.9622421984   1.8504497686  -0.5106711498
C   -0.1214407877  -0.5159601260   0.3753549269
C    0.1969011592   2.7884377242  -0.9663627949
C   -0.2487054336   2.9065526136   2.2934652767
C   -2.5782753791   0.5124129412  -0.6668295890
C   -0.5164601794  -2.6624398717   1.2996388708
C    0.8273445585  -3.3598953005   1.3530617933
C   -3.2410315090  -0.3003887324   0.1921755253
C    0.6445173219  -4.8768040790   1.2955464739
C    2.3409951553   1.5041744040  -1.3283125123
C    2.4827767985   3.6595652767  -0.8901895614
C   -3.5464711236  -1.4914282800  -0.5323097198
C   -3.0475700245  -1.3066727675  -1.7758943891
C    3.6298632068   1.9243640934  -1.3442694128
C    1.9544149148  -5.5959370136   1.3248248720
C    2.3258511929  -6.4610183357   2.2609217349
H    1.1120312997   1.1146307021   0.7324357900
H   -1.5597733109   1.1965619082   2.1754759838
H    0.0251448961   0.8514551499   2.8208795689
H   -2.2104252871   2.4757607287  -1.3662119874
H   -2.3919488403   2.3378367216   0.3670304897
H   -0.4768178454   3.1653789160   3.3269470579
H    0.7964131194   3.1717242470   2.1172126510
H   -0.8663261772   3.5473193454   1.6624997869
H   -1.0540167891  -2.8975195716   0.3792051948
H   -1.1409261865  -2.9674052033   2.1386621050
H    1.3447739599  -3.0874926601   2.2760531437
H    1.4563874478  -3.0361920676   0.5204416417
H   -3.4770644164  -0.0837098056   1.2218119508
H    0.1137873769  -5.1353587682   0.3730821398
H    0.0169285766  -5.2109592358   2.1259831250
H    1.8953980542   0.5467528093  -1.5362182296
H    2.1664243712   4.6607167786  -0.6446380806
H   -4.0629091351  -2.3655854595  -0.1713157633
H   -3.0391929025  -1.9205282142  -2.6621789308
H    4.5076761858   1.3349724612  -1.5536437734
H    2.6396821919  -5.3694204851   0.5120752917
H    3.2916853001  -6.9488910127   2.2312352976
H    1.6770644304  -6.7165990329   3.0911109863
*