! 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   -0.7586423504  -2.7907624927  -0.3556529755
O    2.6325797791   2.2381034091   0.5034696659
O    0.6488286653   3.2675558969   0.3550043341
N   -0.9204156092  -0.5584606306   0.0504217662
N    1.0695294435  -1.6996972437   0.4381504683
N   -1.4514671260   1.5686054091   0.0733479655
N    0.8548547936   0.9608581644   0.3466105542
C    2.9552177878  -2.6555082944  -0.8541919727
C    2.0125087613  -2.7951889139   0.3342819403
C   -2.3102111272  -0.4789759688  -0.1292379884
C    3.7422670243  -1.3468203837  -0.8983644904
C   -2.6296524419   0.8764379633  -0.1071485676
C   -0.4156382074   0.7223725407   0.1735991301
C   -0.1868116836  -1.7814384815   0.0150495420
C   -3.3072350783  -1.4306383076  -0.2786351396
C   -3.9244634686   1.3392539948  -0.2375723771
C    4.5392889750  -1.0497429689   0.3643675780
C   -4.6127892320  -0.9715076108  -0.4106397771
C   -4.9206268256   0.3863420000  -0.3930667812
C    1.3058288822   2.2384419063   0.3968902357
C    3.2787554305   3.5046556964   0.5590691132
H    2.3837497007  -2.7655192930  -1.7798101733
H    3.6510939956  -3.4985528623  -0.8163005382
H    2.5796577901  -2.8343154135   1.2652083346
H    1.4662758147  -3.7337781387   0.2707737581
H    4.4233836089  -1.3899804363  -1.7514167015
H    3.0686207842  -0.5102605036  -1.1023311444
H    1.4331210079  -0.7587459106   0.5888042722
H   -3.0990582722  -2.4870032881  -0.2941349700
H   -4.1462127351   2.3972987192  -0.2150888122
H    3.8973640473  -0.8700149028   1.2286164759
H    5.2081966624  -1.8743909242   0.6189976019
H    5.1518246712  -0.1569412502   0.2357251208
H   -5.4076518403  -1.6948765560  -0.5305576488
H   -5.9487064237   0.7042120918  -0.4991862095
H    4.3438045029   3.2941520879   0.6052833661
H    3.0760932413   4.1042280725  -0.3287468169
H    2.9906166064   4.0685899316   1.4466414042
H   -1.3379888031   2.5710402749   0.1294727101
*