! 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    1.2143025786   0.8452104426  -1.3154712123
N    0.6812183399  -1.8502746456  -0.5507070359
N    0.3896941936  -2.6493044474   0.4795525403
N   -1.3732432182  -2.4739043313  -0.8966842785
C    3.5232335145   0.7398564863  -0.4265421135
C    2.0497332016   0.2276917756  -0.3724516081
C    4.1016898217   0.2031453088   0.8860188636
C    1.6872602220   0.4225750554   1.0907224039
C    2.9608982626   0.3201434264   1.9041638648
C    1.9915573264  -1.2673799450  -0.7181170962
C    3.5209889816   2.2716429325  -0.3921105220
C    4.3019634561   0.2769481746  -1.6499402868
C    0.5009412318   0.6178776260   1.6660243718
C   -0.3807008902  -1.7479433157  -1.3511280088
C   -0.8484971044  -2.9894497711   0.2295755835
H    4.9909293258   0.7568863010   1.1900003762
H    4.4115057408  -0.8379917071   0.7682909911
H    3.0783263859   1.2060963271   2.5308607405
H    2.9323429999  -0.5348770729   2.5819326785
H    2.6744669964  -1.8448340512  -0.0998385715
H    2.2896911486  -1.4119074720  -1.7568456679
H    2.9334130482   2.6806211525   0.4336650930
H    4.5410596709   2.6382446037  -0.2696416747
H    3.1415548346   2.7060384933  -1.3191524414
H    4.4615280989  -0.8020166889  -1.6646240095
H    3.7987351927   0.5576640994  -2.5773873454
H    5.2892837579   0.7420951111  -1.6636565020
H    1.1790404833   1.7900526418  -1.1364449072
H   -0.3816967388  -1.1669836348  -2.2584774493
H   -1.3936627420  -3.6493619911   0.8864482751
C   -0.8504054735   0.7129824338   1.0828264777
C   -3.4614191225   0.8385154200   0.1160176193
C   -1.8264920097  -0.1805934438   1.5240153214
C   -1.2351460717   1.7059573522   0.1835975137
C   -2.5293519911   1.7717974401  -0.3076226710
C   -3.1237411419  -0.1337904474   1.0414366807
H   -1.5676137157  -0.9393798828   2.2511553964
H   -0.5341177416   2.4718251159  -0.1176102526
H   -2.8052000032   2.5517907549  -1.0041872974
H   -3.8573278520  -0.8507768006   1.3837139338
Cl  -5.0802014784   0.9053051983  -0.5046258237
H    0.5078071589   0.6613162141   2.7537696842
*