! 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    2.9105286938   2.5142664858   0.1359813644
O    1.0435802942   0.8096066359   0.8070671160
N    2.1974703829  -1.0470334826   0.0396330279
N    2.1572560075  -1.8549163302  -1.0249447990
N    2.4921507295  -3.0383147859   0.8503689324
C    4.6025508276   0.8488655630  -0.4700147127
C    3.3044579754   1.1714882076   0.3147933870
C    2.0442612297   0.3862320939  -0.0781265006
C    5.6401848051   1.9100526107  -0.0760717951
C    5.1838273443  -0.5137998671  -0.0782273673
C    4.3867186854   0.9057648858  -1.9816683886
C   -0.2700970597   0.5800842850   0.5378375933
C    2.3968521792  -1.7664607034   1.1480773555
C   -0.7584427685  -0.0374322156  -0.6066951881
C   -1.1589996447   1.0243394647   1.5133197567
C    2.3449856740  -3.0332248770  -0.4903353090
C   -3.0363206012   0.2465881080   0.1966737422
C   -2.1296256707  -0.1941256235  -0.7638168524
C   -2.5188999534   0.8595233622   1.3408108411
C   -4.4911197249   0.0726046918   0.0177652031
C   -5.0762456854   0.1782799622  -1.2460043275
C   -5.3189968705  -0.1995195383   1.1092449395
C   -6.4432565933   0.0145971527  -1.4133338192
C   -6.6864940894  -0.3599991061   0.9425208028
C   -7.2552660911  -0.2547969718  -0.3196854634
H    3.5055938653   0.9678165137   1.3781705573
H    1.7828112654   0.5880113051  -1.1209677544
H    6.6118834187   1.6544498637  -0.5005476336
H    5.3898784573   2.9053129446  -0.4463445156
H    5.7688113146   1.9703276945   1.0081182972
H    6.2072383060  -0.5930520361  -0.4496375700
H    4.6418226173  -1.3559299071  -0.5051608888
H    5.2252601280  -0.6437295939   1.0056198603
H    3.9521140756   1.8562891581  -2.2946733701
H    3.7398531604   0.1031382926  -2.3405772493
H    5.3410509854   0.7987629804  -2.5010342951
H    3.5103364990   3.0775125099   0.6340944959
H    2.4592340425  -1.3386600408   2.1360406551
H   -0.1065151135  -0.4145460080  -1.3823643982
H   -0.7773298641   1.5113787777   2.4015175832
H    2.3688666980  -3.9291628376  -1.0899819472
H   -2.4873286082  -0.6950013827  -1.6543630392
H   -3.1865696497   1.2353803202   2.1054276312
H   -4.4619640018   0.4103513370  -2.1070977296
H   -4.8919775264  -0.3064231860   2.0986434837
H   -6.8756232491   0.1072867431  -2.4009986075
H   -7.3083620933  -0.5753140755   1.8016243483
H   -8.3219842969  -0.3808243232  -0.4497907526
*