%nproc=16
%mem=370mw
%chk=TS1.chk
#p opt=(ts, noeigentest, calcFC) freq wb97xd/6-311G** scrf=(smd, solvent=acetonitrile)

TS 1 5MCC-O-H-TBD (H Abstracion by TBD)

0 1 
 C   -3.13666248     -0.526939213     -0.481794208    
 H   -3.50193262      0.258664012      0.198238805    
 H   -3.68878460      -1.44374168     -0.261830002    
 C   -3.36960602      -9.16628391E-02  -1.92243135    
 H   -3.15054083     -0.922023475      -2.59503198    
 H   -4.40251827      0.221689418      -2.06967330    
 C   -2.41492033       1.05739021      -2.21601415    
 H   -2.50808072       1.37965965      -3.25776100    
 H   -2.65536976       1.91858637      -1.57302594    
 N   -1.73513210     -0.770976067     -0.234432191    
 H   -1.51856983      -1.62197816      0.349015325    
 C    8.27963743E-03   1.30245221      -2.68928456    
 H  -0.364027202       1.62113822      -3.66760206    
 H   0.324250728       2.19872379      -2.13448334    
 C    1.18268025      0.344616830      -2.83987784    
 H    2.01167417      0.828096271      -3.35555029    
 H   0.863025248     -0.523534060      -3.41894436    
 C    1.59879303      -9.57610682E-02  -1.44067395    
 H    2.30413318     -0.929737806      -1.49547350    
 H    2.10109687      0.733143210     -0.925058246    
 C  -0.745352805     -0.230180249     -0.969683051    
 N   -1.05927765      0.615296245      -1.99940467    
 N   0.476242453     -0.534525752     -0.650232673    
 H   0.736480415      -1.32728195      0.382633477    
 C  -0.665516496      -2.55294132       3.43692040    
 C   0.389973164      -1.43521500       3.49539638    
 C    1.49512184      -1.60354936       2.40891862    
 C   -1.86759651      -2.17650867       2.55004978    
 C  -0.445997924      -3.60442472       1.47197485    
 H  -0.131011009     -0.489813954       3.34586906    
 H   -2.01125503      -1.09888601       2.45241952    
 H  -0.975747705      -2.84734154       4.44260883    
 H   0.860216737      -1.42560947       4.47772026    
 H   -2.79492807      -2.64423752       2.90114212    
 O   0.935759187      -2.08718085       1.22245944    
 O   -1.52583575      -2.71989894       1.28988421    
 O  -0.130676582      -4.37771225      0.628865600    
 O  -0.187454328      -3.71542859       2.78720641    
 C    2.55614996      -2.57906961       2.92927885    
 C    2.80692005      -3.77641773       2.27749705    
 C    3.32852674      -2.23121333       4.03169298    
 C    3.80460215      -4.62153721       2.73191547    
 H    2.21385741      -4.04122639       1.41655946    
 C    4.32638741      -3.07508564       4.48160934    
 H    3.16378832      -1.28560913       4.53130054    
 C    4.56684828      -4.27502012       3.83287454    
 H    3.98808742      -5.55339432       2.21728611    
 H    4.92386532      -2.79158282       5.33661461    
 H    5.35031700      -4.93188047       4.18287945    
 C    2.24738121     -0.300547659       2.14331388    
 C    1.96311700      0.923920870       2.73109627    
 C    3.31357193     -0.373398095       1.25097489    
 C    2.71224809       2.04726338       2.41867208    
 H    1.16574490       1.03148758       3.45023537    
 C    4.06292820      0.744956613      0.941324830    
 H    3.54646039      -1.32585466      0.799739659    
 C    3.76127744       1.96554899       1.52246988    
 H    2.47214580       2.99191952       2.88612938    
 H    4.88538122      0.664958894      0.245396748    
 H    4.34222126       2.84436560       1.28304088   
 
