! 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    3.9075113215   0.4195266893  -0.1797643280
O    0.1342928360  -1.8606797811   0.7575744786
N   -0.3481263563   0.1525035700  -0.1934832404
C    1.9287551121  -0.5370776194   0.0363618975
C    2.5932559459   0.6554571964  -0.0083260890
C    0.4996990549  -0.8125709536   0.2432773843
C   -1.7439171272   0.2170757164  -0.1118558305
C    2.9203001409  -1.5626757707  -0.1023157964
C    2.1738532650   2.0712366689   0.1172045583
C    4.0969460344  -0.9258523386  -0.2416974820
C   -2.5472649529  -0.7302339023   0.5240426007
C   -2.3467518915   1.3248068378  -0.7135310634
C   -3.9249745379  -0.5548987992   0.5453131061
C   -3.7205382067   1.4851683634  -0.6833622493
C   -4.5231084701   0.5435236610  -0.0526295819
H    2.7580482407  -2.6279314655  -0.1122649369
H    0.0692926237   0.9107826320  -0.7108161451
H    1.8565459325   2.4888472656  -0.8413396239
H    1.3499366417   2.1757496387   0.8211125987
H    2.9952749899   2.6867996540   0.4808072996
H    5.1097699695  -1.2638623622  -0.3862704268
H   -2.1208272774  -1.5984442673   0.9974903805
H   -1.7335355314   2.0677408263  -1.2104775032
H   -4.5349620623  -1.2988137616   1.0409267531
H   -4.1625028178   2.3515688279  -1.1572295631
H   -5.5975254292   0.6649639036  -0.0285282047
*