! 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   -3.5714951159  -1.2322542667  -1.5053769250
O   -1.0560337164  -1.1445936727  -0.4701083476
N   -2.0463487565   0.9416164354  -0.1330290050
N   -2.3289442260   1.3415120137  -1.3795968680
N   -1.9687040739   3.1104776247  -0.0526938649
C   -4.6314463345  -0.6706603523   0.6504999270
C   -3.3779371288  -1.1662680588  -0.1135356921
C   -2.0576370297  -0.4581448927   0.2314469872
C   -4.3420037722  -0.6140340193   2.1513049476
C   -5.1542422682   0.6885406145   0.1790879012
C   -5.7329963549  -1.7087355612   0.4089129896
C    0.2592037344  -0.8617091069  -0.2533436779
C   -1.8371070384   2.0087340542   0.6426954058
C    0.7561649737  -0.1798371255   0.8498470418
C    1.1392274851  -1.3317554905  -1.2236462025
C   -2.2719010339   2.6438257277  -1.2800377695
C    3.0204407962  -0.4253696693   0.0036488932
C    2.1234024621   0.0325114433   0.9650821985
C    2.4976305310  -1.1198356077  -1.0901346146
C    4.4717875526  -0.1876390735   0.1304701885
C    5.0971399552  -0.2033966958   1.3789796054
C    5.2550438965   0.0582991717  -0.9994223836
C    6.4613759847   0.0194292354   1.4935451543
C    6.6195553214   0.2779643218  -0.8852644174
C    7.2293148025   0.2598006128   0.3619873129
H   -3.2156882771  -2.1985419562   0.2174381562
H   -1.8954787478  -0.5030744729   1.3110705776
H   -3.9010008800  -1.5447259404   2.5164056014
H   -3.6713868028   0.2037967863   2.4231171047
H   -5.2681856231  -0.4547699473   2.7059521363
H   -5.3479066220   0.7095752498  -0.8943856264
H   -4.4931442457   1.5197543299   0.4241684862
H   -6.1049291597   0.8986098442   0.6729517697
H   -6.0065813303  -1.7732693075  -0.6444149280
H   -6.6329427729  -1.4423384351   0.9656556775
H   -5.4270162750  -2.7047938923   0.7369819708
H   -3.5109789751  -0.3395888695  -1.8720842397
H   -1.6023829159   1.9430516879   1.6936112772
H    0.1160065900   0.1868585214   1.6396198576
H    0.7537071742  -1.8741961585  -2.0773772740
H   -2.4529065134   3.2845746923  -2.1281556839
H    2.4836939895   0.5862274808   1.8225281710
H    3.1602770027  -1.5165638266  -1.8484893284
H    4.5184442325  -0.4105148101   2.2705379510
H    4.7937946814   0.0976889058  -1.9783776692
H    6.9267464258  -0.0039968471   2.4702130396
H    7.2061887233   0.4709972020  -1.7738869682
H    8.2939404294   0.4309167615   0.4511510101
*