! 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    0.6120458073   2.1510016190   0.9871768478
N   -1.2176083743   0.9213103732   0.5130050488
N   -1.2072713050  -1.4001934657   0.3903722737
N   -3.1706032167  -0.2582779807   0.0886025104
C    2.3110859123  -0.1661567970   1.1389831522
C    3.1447416461   0.3210201312  -0.0509284384
C    0.8351921961  -0.2128875862   0.8681656242
C    3.0908880365  -0.5923617266  -1.2676991731
C    0.1168665474  -1.3686119046   0.6624048878
C    0.1346162291   1.0294092775   0.8046587095
C   -1.8469023930  -0.2584778344   0.3184534267
C    3.8707037930  -0.0329870668  -2.4481270498
C    0.7717588197  -2.7140288613   0.7338030190
C   -3.9378952942   0.8920577673  -0.3530618064
C   -3.6865688909   1.2837120295  -1.7992470503
H    2.5008955590   0.4946289739   1.9888063998
H    2.6690790064  -1.1508541937   1.4447405513
H    2.8182967987   1.3247264834  -0.3358210387
H    4.1848450254   0.4226571818   0.2740200412
H    3.4870258604  -1.5773526021  -1.0018469215
H    2.0502796192  -0.7509161389  -1.5656746024
H   -1.7332514384   1.7911347959   0.4647454869
H    4.9236633962   0.1110689826  -2.1984899669
H    3.4732592085   0.9347207210  -2.7605629872
H    3.8263699618  -0.6993162598  -3.3105834546
H    1.5922993552  -2.8005081439   0.0211792161
H    0.0521523289  -3.5003440393   0.5200273594
H    1.1904270901  -2.8993582661   1.7242460496
H   -3.5328639605  -1.1614203670  -0.1762617970
H   -4.9862407448   0.6361034390  -0.2149564892
H   -3.7559162522   1.7358399278   0.3149966970
H   -2.6495499645   1.5718908456  -1.9742201471
H   -3.9266290062   0.4606950287  -2.4725309127
H   -4.3154821323   2.1321412288  -2.0691908750
*