! 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   -3.3201406635  -1.3534834575   0.2823534917
O   -0.2428879676   3.3293062261  -0.9860829409
O   -1.7708732401   1.2984102328  -0.1017442923
O   -2.1386215120  -1.2060508592  -1.5997017672
N   -0.0591267427  -0.1450009724   0.0934233743
C   -0.9609189700  -1.2202223186   0.5041458991
C    1.3457221918  -0.3892969398   0.1439456695
C    2.0899607473   0.0447841165   1.2472959729
C    1.9455887600  -1.0909577077  -0.9112479203
C   -1.2406563865  -1.2157623265   1.9977070302
C   -0.5748244765   1.0682743273  -0.2001373534
C   -2.1951136699  -1.2252030842  -0.3946586457
C    3.4513099967  -0.2521096213   1.2819821259
C    3.3052270604  -1.3678543135  -0.8349300659
C    1.5115830512   0.8410362940   2.3814833336
C    1.1616768730  -1.5464779546  -2.1039694539
C    4.0543505163  -0.9569026571   0.2566229841
C    0.3979125109   2.1142580044  -0.7314895258
C   -4.5318447302  -1.4240386580  -0.4715144657
C   -0.4019734151   4.1320079077   0.1656968006
H   -0.4472930384  -2.1564858448   0.2638311788
H   -0.3013178319  -1.2902280989   2.5441538454
H   -1.7567891701  -0.3135231924   2.3223552208
H   -1.8385074846  -2.0803403827   2.2815946709
H    4.0404534646   0.0796417265   2.1282861928
H    3.7823759760  -1.9045373859  -1.6454570010
H    0.4563540316   1.0748638959   2.2680265893
H    1.6227172676   0.3042241688   3.3245834030
H    2.0463246753   1.7854562856   2.4924732315
H    1.8205051869  -1.6872317861  -2.9595725796
H    0.6709870773  -2.5042965590  -1.9163688234
H    0.3844274891  -0.8413437905  -2.3884948625
H    5.1126079138  -1.1782572457   0.3009623201
H    1.2524775118   2.2431826218  -0.0571115966
H    0.8048285286   1.7447936542  -1.6786185967
H   -4.6836324458  -0.5214067251  -1.0625570306
H   -5.3313128297  -1.5127428130   0.2578613115
H   -4.5435817658  -2.2943937504  -1.1264040971
H   -1.0104472102   3.6530909913   0.9377908827
H   -0.9030544451   5.0492686793  -0.1401606152
H    0.5648809139   4.3989613294   0.6061861085
*