! 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   -0.5525378154  -2.5865967070  -0.9026429903
O    2.5217793929   2.6931917406   0.0342195119
O    0.4697799794   3.4390822975   0.5231882272
N   -0.8114594413  -0.3797925325  -0.4245219902
N    1.2723799523  -1.2508560650  -1.0186785202
N   -1.4742035012   1.6017189884   0.2357889117
N    0.8646474067   1.2644847430  -0.1746199336
C    2.7138428722  -2.9776193891   0.0436694770
C    2.2221315610  -2.3245951409  -1.2410148623
C   -2.2054961857  -0.4451307723  -0.2581696575
C    3.4735185337  -2.0279320907   0.9602562112
C   -2.6065415346   0.8208976105   0.1592512495
C   -0.3868704474   0.8987958683  -0.1124902589
C   -0.0130536238  -1.4994700622  -0.7938504657
C   -3.1444664312  -1.4502228583  -0.4367203244
C   -3.9248225538   1.1399330648   0.4198640679
C    3.9698289264  -2.7119654443   2.2246102580
C   -4.4736037501  -1.1362177815  -0.1766151309
C   -4.8620274381   0.1323391687   0.2457544693
C    1.2054624761   2.5347145613   0.1581778870
C    3.0527807229   3.9791598726   0.3396815053
H    3.3646297812  -3.8108963603  -0.2373379176
H    1.8666452858  -3.4174386689   0.5787827350
H    1.7755783859  -3.0688482391  -1.8990170546
H    3.0629760633  -1.8938638364  -1.7848942629
H    4.3222562444  -1.6025900642   0.4159351030
H    2.8357490909  -1.1840101497   1.2372469453
H    1.6134310114  -0.3175500262  -0.7987514936
H   -2.8769917524  -2.4406591854  -0.7626462675
H   -4.2077762575   2.1323070729   0.7430497050
H    4.5069581671  -2.0159712398   2.8700954304
H    3.1411431249  -3.1236033039   2.8039619575
H    4.6483061332  -3.5350309581   1.9921417160
H   -5.2227770540  -1.9048857221  -0.3087008210
H   -5.9060619914   0.3367902635   0.4395195422
H    2.8687895171   4.2574651681   1.3774681439
H    4.1248891772   3.9044079754   0.1792259332
H    2.6500072582   4.7503694583  -0.3172674847
H   -1.4235309154   2.5725167374   0.5120050013
*