! 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    3.1967761853   2.2305720168   1.0071726391
O    1.1039292382   0.6701666124   0.9378040114
N    2.0922481163  -1.0290926044  -0.2873288787
N    2.3598703751  -1.9188590704   0.6732587531
N    1.9502327317  -2.9580217087  -1.2735761306
C    4.6256188476   0.9323725505  -0.3863699276
C    3.4126570487   0.9093462492   0.5704212162
C    2.0863183981   0.3892080977  -0.0257552299
C    4.3954119165   1.8696243460  -1.5734922677
C    5.8312208833   1.4324064444   0.4190065921
C    4.9730950761  -0.4637226637  -0.9124802791
C   -0.2179214002   0.5181654951   0.6475322517
C    1.8460648678  -1.6647440835  -1.4366135300
C   -0.7434601732   0.4235684642  -0.6346791413
C   -1.0722313958   0.4820713673   1.7453361464
C    2.2651455334  -3.0540769820   0.0345742491
C   -2.9870055148   0.2471133002   0.2805627857
C   -2.1146671470   0.2885088925  -0.8037228092
C   -2.4350046911   0.3535889128   1.5595282823
C   -4.4423627515   0.0918903918   0.0899348720
C   -5.0936205662   0.6844168314  -0.9939680634
C   -5.2032645464  -0.6553840227   0.9916866066
C   -6.4609615767   0.5330263743  -1.1707962386
C   -6.5708253594  -0.8043217093   0.8165862101
C   -7.2062353432  -0.2113093134  -0.2661333375
H    3.6670879973   0.2568924430   1.4177648899
H    1.8758747826   0.8894602205  -0.9756028113
H    3.5541452459   1.5599170249  -2.1973973025
H    4.2188255155   2.8989217319  -1.2616031833
H    5.2765272545   1.8730379321  -2.2176183115
H    6.0252867123   0.7922266277   1.2828453823
H    5.6997489952   2.4516932695   0.7795206105
H    6.7267841492   1.4187564836  -0.2044839844
H    4.2862247270  -0.8146059170  -1.6822230785
H    5.0089114104  -1.2107233947  -0.1175097284
H    5.9611050451  -0.4386736174  -1.3755449674
H    2.5728268179   2.2159369750   1.7398898976
H    1.6147260156  -1.1530444424  -2.3579996213
H   -0.1232430698   0.4609578335  -1.5191459476
H   -0.6643366525   0.5656867544   2.7445100166
H    2.4248687403  -3.9970446101   0.5328709278
H   -2.4974376121   0.1952746792  -1.8118846842
H   -3.0780222665   0.3506130839   2.4302326802
H   -4.5330706588   1.2866146168  -1.6981628758
H   -4.7216806754  -1.1436396013   1.8297443974
H   -6.9467230584   1.0055187126  -2.0144959196
H   -7.1392788355  -1.3930776037   1.5246006843
H   -8.2730518612  -0.3280787352  -0.4035444937
*