! 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    1.9807502642   1.3186982976   1.4115030755
O   -2.5826231329   1.7406889705  -0.0146616957
O   -1.6989615362   0.2810700689   2.1394656822
O    5.3256037950  -1.6047388587   2.1840575694
O   -1.8278231888  -2.3575951497  -1.8828292611
O    3.8232000129  -0.8767799024  -2.1479041785
O   -6.0510460946  -1.1139869195  -0.4034221571
O    0.1781033807  -0.7639486129   1.5344056370
N    3.6223267026  -0.1227526417   1.8039363979
N   -2.1576887172  -0.2871264181  -0.9706564264
N    2.8533051096   0.2372682477  -0.4010459108
N   -4.2986101445   0.3433875307  -0.1959536138
C   -0.2729595540   1.4008764044   0.6596937806
C    1.0298990090   1.8898443677   0.5989444825
C   -1.2514640048   2.0770680264  -0.0749954889
C    1.3616978484   3.0005934676  -0.1539923887
C   -0.9326109017   3.1720221636  -0.8548789861
C    0.3737869591   3.6352146983  -0.8850676673
C   -0.5571499247   0.1900735884   1.4742260290
C    2.8485623828   0.4304481601   0.8953697748
C   -3.0161515106   0.5315398142  -0.4142609675
C    4.5091968635  -0.9922996753   1.3389489295
C   -2.6424799985  -1.4694935860  -1.3349433734
C    3.7518718385  -0.6315767285  -0.8477059346
C   -4.7691093294  -0.8365573441  -0.5803655353
C    4.6307367220  -1.3002498292  -0.0097675330
C   -3.9737534220  -1.8146058385  -1.1649169481
C    5.2090639097  -1.3326356997   3.5779655468
C   -0.4563938093  -2.0047248004  -2.0603685200
C    2.9446186231  -0.1784612523  -3.0259388286
C   -6.8948810384  -0.1372188967   0.2019275596
H    2.3781672453   3.3691003946  -0.1577363891
H   -1.7080283894   3.6687575626  -1.4218929149
H    0.6201716115   4.5005256261  -1.4841893358
H    5.3604060533  -2.0059894545  -0.3787305382
H   -4.3662347779  -2.7753340521  -1.4640161754
H   -1.8608025828  -0.5381350810   2.6340459825
H    5.9583839154  -1.9540064356   4.0607441470
H    5.4125310334  -0.2867213720   3.8052707193
H    4.2244164370  -1.5996726511   3.9606544584
H    0.0222340248  -2.8870278099  -2.4765722746
H   -0.3497484917  -1.1732505768  -2.7574487312
H    0.0171037614  -1.7465926147  -1.1137812954
H    3.1891850582  -0.5276494257  -4.0250880668
H    1.8995784899  -0.4021859883  -2.8131682896
H    3.0930067416   0.8995473168  -2.9743374725
H   -6.5730140625   0.1023943304   1.2148583981
H   -6.9420256844   0.7777444209  -0.3876980301
H   -7.8828586491  -0.5877307512   0.2393726472
*