! 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   -0.6914829011  -2.6867245475  -0.7544226906
O    2.5738752207   2.4690920286   0.1117628043
O    0.5494336182   3.3102005949   0.5627302574
N   -0.8840929591  -0.4486558561  -0.4067984904
N    1.1539532926  -1.3939666779  -1.0221872515
N   -1.4754994235   1.5691988959   0.2118554299
N    0.8535515886   1.1281353167  -0.1553289502
C    3.3558482103  -2.2159977382  -0.3402763957
C    2.1198436983  -2.4640939752  -1.1913779744
C   -2.2814366526  -0.4541494647  -0.2632239174
C    3.0862298167  -2.2342332527   1.1585898174
C   -2.6378053253   0.8344285885   0.1256395341
C   -0.4130736851   0.8166946210  -0.1083082650
C   -0.1240957349  -1.6088845651  -0.7346751316
C   -3.2575679041  -1.4217187732  -0.4477557575
C   -3.9469682707   1.2128004376   0.3500053552
C    4.3357746766  -1.9462826489   1.9763293744
C   -4.5777834162  -1.0477723763  -0.2242143355
C   -4.9217526764   0.2428399231   0.1690147817
C    1.2489922687   2.3751949208   0.2033605057
C    3.1614728226   3.7177376401   0.4625822904
H    3.8067340628  -1.2595624788  -0.6263066326
H    4.0924246547  -2.9835980399  -0.5915152056
H    1.6586354676  -3.4129487276  -0.9215283391
H    2.4024354998  -2.5361681664  -2.2435773879
H    2.3175113452  -1.4983237140   1.4083672681
H    2.6770624646  -3.2091091611   1.4392551261
H    1.5051352333  -0.4496259340  -0.8667574008
H   -3.0251491189  -2.4279130750  -0.7521280267
H   -4.1945167796   2.2216272092   0.6500828900
H    5.1185276180  -2.6817052700   1.7819413674
H    4.7437602833  -0.9619753686   1.7389134245
H    4.1254455074  -1.9644660830   3.0461962412
H   -5.3557593365  -1.7861505588  -0.3619984292
H   -5.9603470416   0.4943159419   0.3341715376
H    2.9610884233   3.9817604536   1.5012738775
H    4.2324375696   3.5900807364   0.3315075463
H    2.8188913876   4.5240551155  -0.1862444082
H   -1.3879334296   2.5402995760   0.4769518026
*