! 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    3.4730961941   1.2968989355  -0.9272219407
O    0.4149885622   1.6213823709  -0.4045367756
O    2.8044979322   0.5445013710   1.0651367098
N    0.5968379506  -0.6122034586  -0.3712256364
C    1.9347599929  -0.4807408494  -0.9447353063
C   -0.0306157488  -1.8904668386  -0.2813215761
C   -0.6227846052  -2.4176652671  -1.4370356671
C   -0.0385572378  -2.5872516105   0.9277400295
C   -0.0950381799   0.5347158710  -0.1678463634
C   -1.5040878854   0.4044367784   0.3731871803
C    2.6993631275  -1.7988729635  -0.9438294184
C    2.7472938785   0.5215510661  -0.1396388896
C   -1.2276908609  -3.6654036396  -1.3633313316
C   -0.6551941371  -3.8376316827   0.9616681335
C   -2.1410792580   1.7408598856   0.6064840670
C   -0.6010455046  -1.6581229428  -2.7293458749
C    0.5611682347  -2.0332138084   2.1844244051
C   -1.2426801112  -4.3732586482  -0.1697239875
C   -3.0713164067   2.2533950925  -0.2903394572
C   -1.8000500954   2.4950898338   1.7258842814
C   -3.6561102010   3.4946292096  -0.0726033630
C   -2.3798558837   3.7350739802   1.9462098076
C   -3.3112085606   4.2388010261   1.0461999285
C    4.3604757527   2.2212294164  -0.2947418579
H    1.8619003256  -0.1178767893  -1.9739713517
H   -1.4768507201  -0.1703935291   1.3028881279
H   -2.1049411301  -0.1904668438  -0.3195837902
H    3.6994636921  -1.6359767184  -1.3448346565
H    2.7981677975  -2.2114779043   0.0597564674
H    2.2174794090  -2.5427533917  -1.5761902559
H   -1.6912585055  -4.0860746269  -2.2468568481
H   -0.6694437793  -4.3934813659   1.8912451383
H   -0.9806180778  -0.6407720153  -2.6229095727
H    0.4081890492  -1.5786187420  -3.1373930136
H   -1.2104414400  -2.1556583708  -3.4813102320
H    1.2182467081  -1.1874721439   2.0031699871
H   -0.2211704934  -1.7014251603   2.8707448369
H    1.1346266334  -2.7975610116   2.7090741133
H   -1.7148983305  -5.3459006019  -0.1247132228
H   -3.3471193623   1.6767338175  -1.1650819788
H   -1.0784173710   2.1073850116   2.4354203065
H   -4.3818149556   3.8780312537  -0.7778269363
H   -2.1053015815   4.3095637574   2.8210212179
H   -3.7668081702   5.2047383959   1.2191658970
H    3.8135726595   2.9422558225   0.3117003032
H    4.8706739857   2.7429632735  -1.0987150969
H    5.0946474751   1.7085353767   0.3248169527
*