! 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    1.1247287223   0.1857837066   0.9449243989
O   -5.4951402147  -1.2352018084  -0.1428969363
O    2.1485018742   0.6062528239  -1.0237367879
O   -5.2486944074   0.9744603443  -0.4760002222
N   -3.4708347986  -0.3891918166   0.0072438852
N    3.2763682546  -0.2320922176   0.7884472239
C   -2.4010065464   0.5027950839   0.0713829411
C   -0.0540850889   0.7690802253   0.5175081071
C   -1.1605570821  -0.0472497509   0.4062730176
C   -2.4931345976   1.8728992282  -0.1709082036
C   -0.1276171705   2.1339729778   0.2919324372
C   -1.3581096846   2.6635876818  -0.0562407496
C    4.5798682380  -0.4079474289   0.3086652230
C    5.4540134770  -1.1149230306   1.1363714895
C    5.0462307304   0.0904538565  -0.9067450626
C    2.1985515977   0.2241603820   0.1201432302
C   -4.7803598145  -0.1155754517  -0.2261959218
C    6.7681533584  -1.3248141896   0.7569642262
C    6.3666513303  -0.1324035373  -1.2755039095
C    7.2353344741  -0.8367286187  -0.4562132279
C   -6.9118907939  -1.1303768763  -0.3615509501
C   -7.5081441121  -2.5003739782  -0.1657814318
H   -1.0651326056  -1.1095758981   0.5971134608
H   -3.4281244044   2.3351380195  -0.4377551382
H    0.7404343732   2.7702208941   0.3985520663
H   -1.4438303441   3.7260268525  -0.2399705926
H   -3.2489703660  -1.3536243485   0.2086457141
H    3.1166919480  -0.5392440521   1.7372108310
H    5.1008083480  -1.5031861685   2.0842946316
H    4.4055785754   0.6513441633  -1.5673627086
H    7.4273001536  -1.8749462910   1.4152856860
H    6.7148779661   0.2603709617  -2.2217402975
H    8.2616341828  -1.0001865467  -0.7555929234
H   -7.1016557309  -0.7652161218  -1.3723751575
H   -7.3425257497  -0.4185794154   0.3446596754
H   -8.5832546312  -2.4429050624  -0.3332242827
H   -7.3489650455  -2.8688933344   0.8474978054
H   -7.1003503984  -3.2249080614  -0.8705353965
*