! 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    0.7842376598  -1.5139461431   0.5358352021
O   -2.4747847425   0.2592140730  -1.4257773394
O    0.4570760056  -0.3969651112  -1.3692916216
O   -0.8028027436   2.7866693345  -1.9205616593
N   -0.2603275212   1.8358478366   0.0800527527
N    1.3898157129   2.6827098908  -1.3528149812
N    3.2802787174   2.7345069644  -2.4789805054
C    0.6552010269   0.8572627064   0.6651704503
C    0.4769828670   0.6857149994   2.1701733177
C   -1.6793323614   1.6628067152   0.4032516989
C    0.5935213146  -0.4236213004  -0.1693882147
C    0.0174785246   2.4262224980  -1.1064558032
C    0.6223799322   1.9978039706   2.9247287603
C   -2.2444724937   0.3847511892  -0.0979479242
C    0.7542588175  -2.7815065775  -0.1438888394
C    0.8169730297  -3.8690647771   0.9019046108
C   -2.5222969969  -0.7869534682   0.5264918734
C   -0.3787124311  -3.8731683760   1.8552951386
C    2.3249375078   3.2449993933  -0.5121407468
C    2.0245461571   2.3998615993  -2.5219406334
C   -2.9432592571  -1.6969455261  -0.4890394522
C   -2.8865386885  -1.0065446573  -1.6504856281
C    3.4758140529   3.2720224816  -1.2312702502
C   -0.2686126990  -4.9647909007   2.8701153621
C   -1.1291865544  -5.9654412594   3.0146899292
H    1.6791367023   1.2132283194   0.5287512940
H   -0.4718235863   0.2057038072   2.4162389328
H    1.2533612297   0.0002608809   2.5086616480
H   -2.2280967328   2.5244944024   0.0275677738
H   -1.7904638290   1.6841351797   1.4855356741
H   -0.1545603880   2.7193285667   2.6711067198
H    0.5621569198   1.8221532899   3.9982431741
H    1.5876742894   2.4655744096   2.7244961679
H    1.6050902991  -2.8473324728  -0.8245605352
H   -0.1632700828  -2.8579895214  -0.7315752791
H    1.7509759534  -3.7889161463   1.4648697031
H    0.8604240209  -4.8205600610   0.3667004524
H   -2.4343424598  -0.9823879136   1.5833507977
H   -1.3065918940  -3.9804155350   1.2862577874
H   -0.4331773618  -2.9110215204   2.3734979001
H    2.0844869318   3.6077733771   0.4729503110
H    1.5197573698   1.9362344176  -3.3542353431
H   -3.2436719061  -2.7246909153  -0.3671292853
H   -3.1123377209  -1.2667149847  -2.6720723926
H    4.4330873634   3.6576089587  -0.9201476936
H    0.5992925095  -4.9189706010   3.5232703884
H   -0.9891163345  -6.7272141366   3.7710608505
H   -2.0112206206  -6.0560782266   2.3906775033
*