! 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   -0.7434286800  -2.7919979408  -0.3726567606
O    2.6336425778   2.3004073369   0.1628089074
O    0.6282693432   3.2645067589   0.4192401548
N   -0.9002680166  -0.5250393391  -0.2792513127
N    1.1343828570  -1.5631117535  -0.7251474100
N   -1.4575115339   1.5521598139   0.1462073148
N    0.8709701892   1.0160942152  -0.0801672920
C    2.8149059591  -2.8150594752   0.5938787100
C    2.0793062690  -2.6619181346  -0.7318097215
C   -2.3009479958  -0.4825404212  -0.1990442099
C    3.5507558677  -1.5616094844   1.0645633645
C   -2.6364909926   0.8422749288   0.0681669851
C   -0.4053504241   0.7476610765  -0.0640737660
C   -0.1552023978  -1.7284810339  -0.4506608178
C   -3.2936876247  -1.4373809952  -0.3563332981
C   -3.9434978299   1.2684202713   0.2009927615
C    4.5421158454  -1.0009866337   0.0539913966
C   -4.6116289959  -1.0150616654  -0.2246900596
C   -4.9357895631   0.3105348379   0.0517433315
C    1.3034739453   2.2734037574   0.1857817459
C    3.2612287513   3.5516507087   0.4211779598
H    3.5286853818  -3.6357610838   0.4783649028
H    2.1035248826  -3.1274617959   1.3633233043
H    1.5575556096  -3.5835896974  -0.9805905304
H    2.7862581496  -2.4834825183  -1.5425560902
H    2.8318015423  -0.7830259192   1.3327097710
H    4.0778154831  -1.8054893602   1.9895829647
H    1.4963269544  -0.6149721462  -0.6255288398
H   -3.0737190926  -2.4691084291  -0.5725095332
H   -4.1763465527   2.3035021748   0.4096336097
H    5.1110703790  -0.1761230019   0.4837991033
H    5.2560672857  -1.7616202015  -0.2688516829
H    4.0491527177  -0.6134860545  -0.8392210755
H   -5.4033837484  -1.7422021345  -0.3422422555
H   -5.9732224513   0.5994823027   0.1488492406
H    4.3299236018   3.3694598392   0.3496311997
H    2.9810466917   4.3061747038  -0.3142042949
H    3.0314923514   3.9213180373   1.4208366032
H   -1.3518350668   2.5403089743   0.3284790494
*