! 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    0.6794046585   1.9288555098  -1.1832164212
N   -1.1832573490   0.8159051687  -0.5806268926
N   -1.2539520833  -1.4759756717  -0.1975302797
N   -3.1679125070  -0.2313571649   0.0072233891
C    2.2936385077  -0.4847487541  -1.1238014625
C    3.1733206741  -0.5405663231   0.1290096574
C    0.8202195007  -0.4242731309  -0.8412195106
C    2.9700403542   0.6219612684   1.0912500440
C    0.0642114441  -1.5216632307  -0.4950342339
C    0.1688650398   0.8459326560  -0.8919634954
C   -1.8508793707  -0.3099143788  -0.2436936063
C    3.9292131324   0.5689252635   2.2711885444
C    0.6767660748  -2.8827460423  -0.3958438533
C   -3.8883812816   0.9931107702   0.3055744210
C   -3.5970970607   1.5639445742   1.6830007466
H    2.5210434994  -1.3532753392  -1.7468216451
H    2.5788700420   0.3865738185  -1.7152224562
H    2.9981326490  -1.4804489257   0.6620078123
H    4.2203473146  -0.5668645360  -0.1893390530
H    3.0958702178   1.5678069847   0.5567865027
H    1.9407275163   0.6154149226   1.4620643879
H   -1.6664460741   1.7044722257  -0.6177742824
H    3.7533946107   1.3899352049   2.9675116908
H    4.9682186842   0.6342113168   1.9421567275
H    3.8206671979  -0.3633275288   2.8293695271
H    1.4165142151  -3.0617803630  -1.1749199600
H   -0.0870029718  -3.6541589596  -0.4594121592
H    1.1860829523  -3.0036682341   0.5624275160
H   -3.5639291764  -1.0826921934   0.3750344790
H   -3.6925019354   1.7349020806  -0.4709993544
H   -4.9470253529   0.7574379412   0.2190021629
H   -2.5489003789   1.8383821491   1.8035263636
H   -4.1939478561   2.4615171377   1.8452981585
H   -3.8508201400   0.8467611884   2.4635966101
*