! 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   -0.7989878454  -2.7810332063  -0.2833817331
O    2.5972320263   2.3227866241   0.1815243885
O    0.5883509029   3.2879599562   0.3976307442
N   -0.9344459383  -0.5131472756  -0.2348770599
N    1.1081107749  -1.5816883791  -0.5716429203
N   -1.4920033215   1.5781062530   0.1141336579
N    0.8386267013   1.0287669019  -0.0499864360
C    2.9023890429  -2.7400450715   0.6760623131
C    2.0328314427  -2.6983782680  -0.5734358172
C   -2.3370685004  -0.4627631189  -0.1878324885
C    3.7661768319  -1.5006979258   0.8994864148
C   -2.6720457992   0.8708719412   0.0313888533
C   -0.4387824022   0.7639720396  -0.0494218730
C   -0.1945584364  -1.7258858831  -0.3556472691
C   -3.3311705473  -1.4178029465  -0.3371234931
C   -3.9796774498   1.3062587163   0.1232003804
C    4.7332536683  -1.2068512390  -0.2386862601
C   -4.6495564503  -0.9862511290  -0.2474147516
C   -4.9731461809   0.3484970565  -0.0186021240
C    1.2665821284   2.2930496844   0.1919507244
C    3.2200677209   3.5791162543   0.4277957109
H    3.5476249372  -3.6196438828   0.5957069732
H    2.2630366417  -2.9027033161   1.5479551652
H    1.4699398048  -3.6242774319  -0.6644430780
H    2.6519160363  -2.6276169985  -1.4690613700
H    3.1354400378  -0.6242165101   1.0746848552
H    4.3319218162  -1.6424810991   1.8231962451
H    1.4779097548  -0.6342340721  -0.5014678352
H   -3.1119040100  -2.4563260626  -0.5173135186
H   -4.2133226004   2.3477789245   0.2955862814
H    5.3724903301  -2.0666424791  -0.4493197938
H    4.2177032527  -0.9473466173  -1.1649905629
H    5.3831876629  -0.3668895913   0.0086918234
H   -5.4420204821  -1.7134001108  -0.3601500950
H   -6.0110066940   0.6447596333   0.0468201653
H    2.9717652781   3.9674867040   1.4157909984
H    4.2899818275   3.3958395659   0.3797136286
H    2.9535693627   4.3192091325  -0.3270495593
H   -1.3894178063   2.5717309235   0.2662948208
*