! 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   -0.0254290016  -0.9166217656   0.6720815657
O   -3.7173104059   0.4594059923  -0.1282059013
O   -1.7666173851  -0.5918495543   2.0339133208
O    0.3789646776   0.8561865838  -2.2281516537
N   -0.5086910103   1.6290890424  -0.2762231421
N    1.8089471115   1.3245797338  -0.5433162449
N    3.9381016203   0.8161596046  -0.2899115702
C   -0.5177495875   1.3118764561   1.1579038542
C   -1.3956889037   2.2512081590   1.9736611919
C   -1.8184630557   1.7510986557  -0.9194390048
C   -0.8728159658  -0.1659959581   1.3475686695
C    0.5078798912   1.2266121694  -1.0813772915
C   -1.0533629290   2.2123578319   3.4564216919
C   -2.6183515047   0.4943524116  -0.9231619514
C   -0.2267402262  -2.3375514401   0.6143077617
C    0.8335684709  -2.8941421569  -0.3065210605
C   -2.4760294705  -0.6996478175  -1.5516663016
C    2.2351313086  -2.8180813356   0.2809249799
C    2.3370947889   2.2733794322   0.3083280249
C    2.8280323351   0.4802450224  -0.8733727131
C   -3.5514137640  -1.5231632014  -1.1047869173
C   -4.2678323755  -0.7668031817  -0.2418509661
C    3.6439760321   1.9394523438   0.4451613204
C    3.3422718731  -3.2020532573  -0.6477376195
C    3.2176051667  -3.6054040497  -1.9078758279
H    0.5003729231   1.4130223517   1.5372703056
H   -1.2365576757   3.2665825831   1.6052973741
H   -2.4539031916   2.0271528028   1.8333189178
H   -1.6626460641   2.1076164725  -1.9351468135
H   -2.3726878864   2.5382355817  -0.4097650917
H   -0.0137915867   2.4944442832   3.6306152806
H   -1.6798646769   2.9154420182   4.0045146820
H   -1.2101340273   1.2275359417   3.8940383916
H   -1.2266633306  -2.5442456112   0.2281483261
H   -0.1518311788  -2.7626352516   1.6180326550
H    0.7810403764  -2.3633941229  -1.2622706170
H    0.5756402203  -3.9341504060  -0.5193225177
H   -1.6941565889  -0.9666308292  -2.2435645028
H    2.2904746349  -3.4558740148   1.1701402144
H    2.4424463465  -1.8089842247   0.6512396482
H    1.7709469392   3.1059242683   0.6895375307
H    2.6925613589  -0.3589945335  -1.5378872668
H   -3.7595384359  -2.5411917250  -1.3911570673
H   -5.1595776137  -0.9530280998   0.3344512428
H    4.3937538412   2.4527831929   1.0249692985
H    4.3391333576  -3.1366993784  -0.2215574099
H    4.0875236236  -3.8658222347  -2.4969602025
H    2.2590220162  -3.7035896646  -2.4021409248
*