! 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    1.2725102215   0.8317022298  -1.3568678313
N    0.6496455624  -1.8176052687  -0.4985484345
N    0.3286167304  -2.5806959297   0.5500889884
N   -1.4194973951  -2.3918660641  -0.8428835552
C    3.5650868242   0.6939577750  -0.4373134298
C    2.0777179548   0.2249082211  -0.3805100968
C    4.1118104342   0.2058020741   0.9068461844
C    1.7018544551   0.4843771624   1.0693351713
C    2.9658135025   0.4171489869   1.9018992356
C    1.9780909992  -1.2798543679  -0.6716357627
C    3.6052763366   2.2254745316  -0.4769160885
C    4.3471587350   0.1527653425  -1.6263045043
C    0.5095309384   0.6950126330   1.6280015628
C   -0.4049942972  -1.7049775658  -1.3084760152
C   -0.9173146700  -2.8920896211   0.3007761622
H    5.0183574178   0.7407576426   1.1930381786
H    4.3827949084  -0.8509963932   0.8464412526
H    3.0957318217   1.3452864254   2.4619116340
H    2.9146451803  -0.3838716050   2.6412042941
H    2.6372293468  -1.8533122708  -0.0245634990
H    2.2845929632  -1.4711785182  -1.7004307302
H    3.0063965856   2.6914005700   0.3097666290
H    4.6313489431   2.5704162321  -0.3424371966
H    3.2652062803   2.6240119975  -1.4350784676
H    5.3454977962   0.5935626141  -1.6498192200
H    4.4810148850  -0.9291429760  -1.5868148785
H    3.8623820087   0.3993199696  -2.5732698184
H    1.2587958280   1.7818143498  -1.2056325451
H   -0.3836880208  -1.1476743914  -2.2302692963
H   -1.4852750873  -3.5193426963   0.9702864248
C   -0.8425588977   0.7496636485   1.0436071264
C   -3.4613206455   0.7871999396   0.0893586076
C   -1.2327747585   1.6512736676   0.0547202144
C   -1.8187470286  -0.0927799505   1.5780429257
C   -3.1197791771  -0.0887673993   1.1049576128
C   -2.5301740494   1.6704109686  -0.4311351144
H   -0.5367319281   2.3858189913  -0.3231807496
H   -1.5553072592  -0.7771444970   2.3743387877
H   -3.8533406607  -0.7642893369   1.5233533944
H   -2.8103377417   2.3799564399  -1.1979157665
Cl  -5.0850057456   0.8010377904  -0.5204039250
H    0.5118807421   0.7797878491   2.7133652464
*