! 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    0.7090662400  -1.7152166770   0.4502162200
O   -2.5032915660   0.0516724655  -1.4509476819
O    0.3254889159  -0.7892708529  -1.5410350473
O   -0.4357480366   3.8611545567  -0.6504328040
N   -0.1730536924   1.6471803807  -0.2034276106
N    1.5183973402   2.9022406006  -1.2571523685
N    3.4182448450   3.8370429602  -1.8696743659
C    0.7394910379   0.6485093686   0.3480822980
C    0.6959555354   0.6009759094   1.8776863313
C   -1.5755576383   1.5472450168   0.2182774184
C    0.5387065403  -0.6922680921  -0.3566782211
C    0.2326686519   2.8474533232  -0.6727138745
C    0.9595989974   1.9613038574   2.5042271873
C   -2.1806095215   0.2463074427  -0.1493309446
C    0.5551414379  -3.0413888430  -0.0823377869
C    0.6028523266  -4.0139504512   1.0725448715
C   -2.4883166923  -0.8609457524   0.5692020671
C   -0.5429274528  -3.8394455836   2.0699856700
C    2.1502024735   1.9948617560  -2.0839453451
C    2.3298889052   3.9967606826  -1.1806693894
C   -3.0244175038  -1.8067411182  -0.3557569187
C   -3.0004553843  -1.1985218826  -1.5634122461
C    3.3107687042   2.5942930004  -2.4460915043
C   -0.4644286249  -4.8355243489   3.1816380722
C   -1.3870226547  -5.7517540530   3.4504831296
H    1.7605169634   0.9369694028   0.0856256749
H   -0.2488243168   0.1910711680   2.2393644031
H    1.4708767410  -0.0914326792   2.2054825241
H   -2.1313438639   2.3592234250  -0.2459139916
H   -1.6663491355   1.6861127854   1.2970017229
H    0.1780758664   2.6908519798   2.2866814244
H    1.0144055167   1.8685238395   3.5884841319
H    1.9096198077   2.3794929815   2.1665421267
H    1.3601427557  -3.2429070804  -0.7918081243
H   -0.3962407874  -3.1131301192  -0.6140302335
H    1.5666447357  -3.9371065745   1.5833807155
H    0.5614779335  -5.0172044347   0.6418184281
H   -2.3474459070  -0.9915444897   1.6303034820
H   -1.5018245867  -3.9330600989   1.5523057860
H   -0.5064917872  -2.8309151706   2.4930659358
H    1.7116026375   1.0540387863  -2.3673030868
H    2.0770873824   4.8604324414  -0.5868478858
H   -3.3774548531  -2.8032092432  -0.1466973297
H   -3.3051319562  -1.5109593781  -2.5491748268
H    4.0730733651   2.2019327548  -3.0993503951
H    0.4312550852  -4.7931754631   3.7962288958
H   -1.2699187441  -6.4519626499   4.2676844605
H   -2.2965460480  -5.8338776094   2.8660345272
*