! 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   -2.6437610137   1.0944578140   0.0030538050
N    0.2306753775  -1.1362454892  -0.0027668400
N    0.1886971581   1.0899101366   0.0007930543
C    1.5401646644  -0.7437313853  -0.0017928769
C    1.4925627647   0.6599293756   0.0004037186
C   -0.5252845409  -0.0064064480  -0.0009938800
C   -1.9619885944  -0.0731710627  -0.0004176000
C    2.7324706484  -1.4557853466  -0.0021910449
C    2.6795276520   1.3918629757   0.0021887355
C    3.8989127029  -0.7104764031  -0.0002999507
C   -2.8298808906  -1.1200096882  -0.0025741698
C    3.8731857968   0.6924905269   0.0018612027
C   -4.1338263254  -0.5523282296  -0.0001192155
C   -3.9584143559   0.7902961387   0.0030835720
H   -0.1071536496  -2.0864962804  -0.0035419548
H    2.7523362942  -2.5374049589  -0.0037659652
H    2.6642600759   2.4741129321   0.0040777301
H   -2.5791439489  -2.1692063775  -0.0058282281
H    4.8090779960   1.2354989925   0.0039434380
H   -5.0747703415  -1.0773890386  -0.0013102963
H   -4.6469153624   1.6198357007   0.0054469513
H    4.8524409229  -1.2217412525   0.0000727014
*