\\ Species Tag:        &   77001 & Name:&  C3H8O2 I 13C3
\\ Version:            &       1 & & 13C3 1,3 propanediol,
\\ Date:       &  March 2010     & & 
\\ Contributor:&  B.J. Drouin    & & Conformer I  
\\             &                 & &
\\ Lines Listed:       &   11244 & Q(300.0)=& 76422.0338
\\ Freq. (GHz) $<$     &     300 & Q(225.0)=& 53479.9622  
\\ Max. J:             &      30 & Q(150.0)=& 31501.1715  
\\ LOGSTR0=            &   -10.0 & Q(75.00)=& 11885.7256  
\\ LOGSTR1=            &   -10.0 & Q(37.50)=&  4250.6737  
\\ Isotope Corr.:      &     0.0 & Q(18.75)=&  1504.8573  
\\ Egy. (cm$^{-1}$) $>$&     0.0 & Q(9.375)=&   533.2656  
\\ $\mu_a$ = & 2.917             & A=& 7670.9366
\\ $\mu_b$ = & 1.465             & B=& 3839.3622
\\ $\mu_c$ = & 1.024             & C=& 2823.4732
\headend
 
The data set used is from D. F. Plusquellic et al. J. Phys. Chem. A 2009, 113, 12911-12918.  The partition function was calculated with a summation over predicted energy levels up to $J$ = 250.  The dipole moment has been assumed to be identical to the parent isotopolog. The heavy carbon atom is atom number 3 in the atom labeling scheme adopted.