! 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    0.1820931935  -0.7477262666   0.9316083746
O   -3.5427368454   0.2494654417  -0.1316311556
O   -1.6170608668  -0.3719471599   2.2003482206
O    0.6221725225   0.8151744386  -2.1920728233
N   -0.4483122891   1.6366818315  -0.3565378678
N    1.8954876580   1.5057077936  -0.4547028139
N    3.9965353591   1.1100480656   0.0779518979
C   -0.5014008848   1.4905055100   1.1017860732
C   -1.4865852884   2.4469535568   1.7628421452
C   -1.7323023134   1.5799390528  -1.0592328336
C   -0.7433007591   0.0240143891   1.4718083881
C    0.6439143455   1.2729006952  -1.0694022529
C   -1.1910498838   2.6407838490   3.2433647199
C   -2.4386336098   0.2766109128  -0.9200380450
C    0.1426113209  -2.1572586231   1.2114369736
C    1.2856092238  -2.8160721175   0.4758160206
C   -2.1915012149  -0.9694296821  -1.3957160289
C    1.1258960727  -2.8299716546  -1.0446284121
C    2.3105294589   2.5752188832   0.3110699630
C    2.9606460077   0.6634948215  -0.5645892548
C   -3.2009533890  -1.8181775105  -0.8533337346
C   -3.9892330000  -1.0226290221  -0.0940280440
C    3.6042070838   2.3097106655   0.6200311155
C    2.3274207720  -3.4043523988  -1.7230863933
C    2.3293290479  -4.4913308754  -2.4852242551
H    0.4852576457   1.7208633113   1.5062339358
H   -1.4061767112   3.4134015917   1.2613533139
H   -2.5155404048   2.1102641827   1.6332606204
H   -1.5542470955   1.8079044003  -2.1072737256
H   -2.3615960660   2.3840958256  -0.6800092035
H   -1.8970073583   3.3477460237   3.6779905600
H   -1.2696438579   1.7127302568   3.8076352371
H   -0.1881038698   3.0423465808   3.3969898717
H   -0.8198430222  -2.5672782097   0.8963051233
H    0.2429480124  -2.3111249595   2.2873240797
H    1.3481142512  -3.8447339895   0.8377093443
H    2.2266019967  -2.3356583110   0.7611519251
H   -1.3841929435  -1.2515752342  -2.0513203956
H    0.9645544969  -1.8116504900  -1.4108382799
H    0.2334113703  -3.4006483343  -1.3150075749
H    1.6867575063   3.4275818493   0.5205086676
H    2.9148575710  -0.2576982223  -1.1228025097
H   -3.3220560548  -2.8773442670  -1.0119746745
H   -4.8713231451  -1.2092993013   0.4969364039
H    4.2786307146   2.9219692453   1.1961466484
H    3.2650770226  -2.8783745441  -1.5580064006
H    3.2374743200  -4.8575416661  -2.9466220289
H    1.4236117123  -5.0549509764  -2.6788305134
*