! 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    1.2064715942   0.7334622837  -1.3497379513
N    0.7574415669  -2.0035709534  -0.4455876546
N    0.3752663737  -2.5771165154   0.6974579590
N   -1.2644426390  -2.7101177821  -0.8281171664
C    3.4600588392   0.7295743850  -0.4728601963
C    2.0230156647   0.1433709755  -0.3718274379
C    4.0859921046   0.2593512005   0.8469609404
C    1.6709212430   0.4170911488   1.0788138036
C    2.9522163682   0.3222860001   1.8797327154
C    2.0523261146  -1.3858108741  -0.6054741342
C    3.3858740949   2.2590830094  -0.4848298364
C    4.2502347287   0.2653686383  -1.6895893305
C    0.4978726738   0.6827771439   1.6504951755
C   -0.2316232118  -2.0858427212  -1.3395846991
C   -0.8385245978  -2.9785630172   0.4194035108
H    4.9393776300   0.8784654566   1.1259783411
H    4.4654869829  -0.7600928767   0.7480993961
H    3.0498333893   1.1885361514   2.5355474965
H    2.9475728017  -0.5562190172   2.5282221119
H    2.7362505415  -1.8950428751   0.0700080926
H    2.3849316581  -1.5881199777  -1.6229003175
H    2.7909585220   2.6597326636   0.3384206973
H    4.3910481781   2.6738235844  -0.3905367006
H    2.9615935709   2.6421719070  -1.4126515028
H    3.7464380752   0.5207675218  -2.6237323776
H    5.2258714864   0.7546318324  -1.7046895034
H    4.4382090758  -0.8089517808  -1.6893547763
H    0.2790163841   0.5536767920  -1.1631934085
H   -0.1466482119  -1.7148637482  -2.3490174624
H   -1.4386785286  -3.5026074369   1.1465619454
C   -0.8480277516   0.7914617361   1.0537124691
C   -3.4447548991   0.9575899540   0.0549296102
C   -1.1953231722   1.7682812181   0.1188239570
C   -1.8512824988  -0.0666284008   1.5088737250
C   -3.1412810086   0.0036177131   1.0137339282
C   -2.4841387131   1.8490140249  -0.3909058282
H   -0.4620344536   2.4955627749  -0.2039880950
H   -1.6186562662  -0.8071903626   2.2625787241
H   -3.8986835304  -0.6797442171   1.3725255465
H   -2.7313741893   2.6089169971  -1.1195969998
Cl  -5.0550016581   1.0470695060  -0.5789426509
H    0.5067921943   0.7851577780   2.7337770363
*