! 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   -0.0377752032  -1.0385527876   0.6458861305
O   -3.6966503313   0.3761529631  -0.0098682748
O   -1.7147795738  -0.8315559990   2.1077202383
O    0.4032143320   0.9558335910  -2.0749362557
N   -0.5030455787   1.5695326594  -0.0757964391
N    1.8191563349   1.3049658023  -0.3519610779
N    3.9546209979   0.8020952136  -0.1435725316
C   -0.5210076846   1.1422112726   1.3290102907
C   -1.4213017194   1.9915241236   2.2128920199
C   -1.8082257085   1.7329174713  -0.7196410618
C   -0.8577651166  -0.3486645911   1.4110416447
C    0.5209936739   1.2397145435  -0.9027255365
C   -1.0373948918   3.4619864228   2.2181092319
C   -2.6083101320   0.4797294110  -0.8142568131
C   -0.2299381600  -2.4541884167   0.4950193884
C    0.8168145116  -2.9381097838  -0.4804473551
C   -2.4744170408  -0.6566218070  -1.5429780128
C    2.2272085460  -2.8893400997   0.0887590106
C    2.3411297263   2.1955321900   0.5637544080
C    2.8455837361   0.4981605458  -0.7462449434
C   -3.5444240259  -1.5158641387  -1.1541255152
C   -4.2493437901  -0.8365093856  -0.2206756261
C    3.6521294371   1.8668332996   0.6712190298
C    3.3234167765  -3.1991574010  -0.8792599136
C    3.1845882088  -3.5083110852  -2.1645002966
H    0.4898369685   1.2288838790   1.7322356796
H   -2.4722005794   1.8729358841   1.9459596606
H   -1.3261946047   1.5988559671   3.2259558081
H   -1.6436059578   2.1524016579  -1.7091672507
H   -2.3695892259   2.4864921886  -0.1684748916
H   -0.0049859813   3.6051280500   2.5412971528
H   -1.1484895052   3.9317557296   1.2405614562
H   -1.6723404038   4.0106318352   2.9130574726
H   -1.2361443368  -2.6406980775   0.1152566905
H   -0.1327813711  -2.9465510741   1.4655777884
H    0.7423323042  -2.3459611839  -1.3978856664
H    0.5636469559  -3.9644206730  -0.7564496814
H   -1.7005725205  -0.8632761973  -2.2639729852
H    2.3014397897  -3.5858924767   0.9311906476
H    2.4319904356  -1.9059753171   0.5244105521
H    1.7666836152   2.9914537112   1.0057900910
H    2.7153755165  -0.2913039222  -1.4702425557
H   -3.7567955448  -2.5063326820  -1.5220799014
H   -5.1331535423  -1.0710006987   0.3501459264
H    4.3985008422   2.3450796006   1.2845513471
H    4.3255843063  -3.1586388774  -0.4625750678
H    4.0482882837  -3.7192089836  -2.7818956796
H    2.2199641520  -3.5740679379  -2.6529096116
*