! 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   -3.8253544368   0.3089426095  -0.4721785800
O    0.6770086377  -3.2005690857  -0.3651001540
O   -1.3629574362  -1.6464700351  -0.8089470512
O   -2.6452858384  -0.0386198015   1.3920440403
N   -0.3175572779   0.2606030794  -0.2585074149
C   -1.5724510390   0.9606488181  -0.5335957704
C    0.8759097935   0.9887501986   0.0132590230
C    1.5900021940   1.5216033086  -1.0633871032
C    1.3039274859   1.1392852832   1.3336416205
C   -1.5197593431   2.4344416650  -0.1503302909
C   -0.3277393669  -1.0738903958  -0.4808662680
C   -2.7127496045   0.3211345086   0.2438151203
C    2.7649396530   2.2159609929  -0.7956533320
C    2.4873320497   1.8361507811   1.5612997985
C    1.1280496807   1.3189054070  -2.4748288749
C    0.5435422622   0.5415971418   2.4765967972
C    3.2114898030   2.3704294186   0.5076039484
C    0.9063579450  -1.8605755814  -0.3186211451
C    2.2471248823  -1.6446873367  -0.1775781428
C    2.8616527506  -2.9233837356  -0.1319905565
C    1.8564660169  -3.8243829641  -0.2467029219
C   -5.0124624073  -0.1665403008   0.1660177110
H   -1.8022166562   0.8878469807  -1.6001477671
H   -0.7821880991   2.9765142363  -0.7391384337
H   -2.4886718582   2.8894384299  -0.3540620540
H   -1.2942038381   2.5783647555   0.9055260621
H    3.3355926430   2.6333163073  -1.6156888455
H    2.8435037303   1.9589682795   2.5764251431
H    1.0769248595   0.2602838383  -2.7357992198
H    0.1379014275   1.7402595981  -2.6554399056
H    1.8112730552   1.7942406919  -3.1759927479
H    1.0332197926   0.7688484644   3.4218773192
H   -0.4772907442   0.9170031935   2.5296015158
H    0.4760480825  -0.5442948413   2.3930414989
H    4.1297459664   2.9088054567   0.7024252900
H    2.7644274744  -0.7032980452  -0.1215881364
H    3.9123427381  -3.1368692324  -0.0278315346
H    1.8366756200  -4.9022454198  -0.2554504097
H   -5.2741588044   0.4459772982   1.0282290205
H   -4.9074256350  -1.2056340207   0.4761661425
H   -5.8003121915  -0.0931771757  -0.5776190389
*