! 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   -0.6290560590  -2.6853838330   0.6098363051
O    2.5482673125   2.5981138477   0.2628811037
O    0.5345980767   3.4086171637  -0.2806157753
N   -0.8465114160  -0.4405602261   0.3378040442
N    1.1649186716  -1.3684209591   1.0609240113
N   -1.4455759225   1.5941240081  -0.2132066858
N    0.8622362386   1.1883447438   0.2971603562
C    3.3121816668  -2.2840011972   0.2926668812
C    2.1411309670  -2.4238453018   1.2538227644
C   -2.2292897486  -0.4701986352   0.0898847627
C    2.9291498596  -2.4214331095  -1.1744643478
C   -2.5905479194   0.8294085144  -0.2548956620
C   -0.3892589292   0.8494887390   0.1429094098
C   -0.0844665640  -1.5976110091   0.6730978399
C   -3.1901397162  -1.4687156230   0.1464133580
C   -3.8886899671   1.1894444549  -0.5593462724
C    4.1271916978  -2.2773443732  -2.1005901747
C   -4.4993889536  -1.1134622980  -0.1578507252
C   -4.8476340558   0.1887060125  -0.5067410167
C    1.2381922131   2.4703441817   0.0620545467
C    3.1129672388   3.8895836862   0.0578950625
H    4.0486338792  -3.0484865944   0.5549476531
H    3.8051152281  -1.3200692300   0.4584799360
H    2.5017797112  -2.3873936053   2.2831393133
H    1.6552240440  -3.3889342162   1.1237281217
H    2.4540272298  -3.3936323139  -1.3349518633
H    2.1807233858  -1.6678901857  -1.4357690331
H    1.5060576551  -0.4126174621   0.9651291888
H   -2.9541560218  -2.4845747965   0.4134487664
H   -4.1396526138   2.2073237625  -0.8240793963
H    4.5986994335  -1.2992137753  -1.9875866089
H    4.8861450206  -3.0332208280  -1.8902043344
H    3.8390032921  -2.3833952211  -3.1469934285
H   -5.2650003893  -1.8763002673  -0.1211065567
H   -5.8771166437   0.4250879114  -0.7381918729
H    2.9751833757   4.2338800655  -0.9672951512
H    2.6970955845   4.6268427355   0.7449246018
H    4.1762549594   3.7840585810   0.2547474338
H   -1.3638325299   2.5808604541  -0.4151645343
*