! 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    0.9760286804   0.5976753174  -1.2913883213
N    0.8311866276  -2.1361977455  -0.4224926163
N    0.7021491531  -2.8698532340   0.6859991203
N   -1.1463651672  -3.0270766743  -0.5754744254
C    3.3273053864   0.7811177306  -0.4976574252
C    1.9250721313   0.1031349425  -0.3851903484
C    4.0268827807   0.2964642405   0.7812844755
C    1.6158409356   0.2881754415   1.0863506788
C    2.9168938564   0.1434542969   1.8380874803
C    2.0354743390  -1.3934514085  -0.7103856547
C    3.1560842834   2.3018466522  -0.4454758236
C    4.0948357921   0.4191870731  -1.7614858529
C    0.4617808615   0.5815984918   1.6786410583
C   -0.2786690020  -2.2311820313  -1.1538114797
C   -0.4954687568  -3.3780406276   0.5483448068
H    4.8033125960   0.9944617972   1.0964688729
H    4.5272742219  -0.6579790054   0.6045504409
H    2.9916836752   0.8914640636   2.6276595886
H    2.9728634318  -0.8308175624   2.3289386879
H    2.8407185120  -1.8673650569  -0.1538900301
H    2.2566651373  -1.5182846906  -1.7703866308
H    2.6016850071   2.6382344626   0.4340123291
H    4.1349548256   2.7821999001  -0.4086580186
H    2.6497478110   2.6907197629  -1.3315082453
H    5.0418527088   0.9613069302  -1.7914052156
H    4.3377642447  -0.6424831903  -1.8198872264
H    3.5386503957   0.6889988655  -2.6614757246
H    0.7742416115   1.5147356541  -1.0811299391
H   -0.4040061011  -1.7332943076  -2.1011842259
H   -0.9133216644  -4.0414227817   1.2895130224
C   -0.8692215458   0.7862495855   1.0666784612
C   -3.4177629301   1.1858837052   0.0199756179
C   -1.1975220326   1.9739765689   0.4158562406
C   -1.8602762021  -0.1808376508   1.2099504012
C   -3.1302626810   0.0063769904   0.6868082513
C   -2.4611891406   2.1788217253  -0.1170869053
H   -0.4631784112   2.7667955402   0.3328803169
H   -1.6404295849  -1.1010962253   1.7349633614
H   -3.8823065291  -0.7625661665   0.7990965800
H   -2.6927684704   3.1043729089  -0.6261113726
Cl  -5.0020071329   1.4283165550  -0.6430377367
H    0.4794219634   0.6754190381   2.7627500810
*