\\ Species Tag:        &   77003 & Name:&  C3H8O2 I 13C5
\\ Version:            &       1 & & 13C5 1,3 propanediol,
\\ Date:       &  March 2010     & & 
\\ Contributor:&  B.J. Drouin    & & Conformer I  
\\             &                 & &
\\ Lines Listed:       &   11250 & Q(300.0)=& 76359.5541
\\ Freq. (GHz) $<$     &     300 & Q(225.0)=& 53434.2052  
\\ Max. J:             &      30 & Q(150.0)=& 31473.7492  
\\ LOGSTR0=            &   -10.0 & Q(75.00)=& 11875.5875  
\\ LOGSTR1=            &   -10.0 & Q(37.50)=&  4247.0508  
\\ Isotope Corr.:      &     0.0 & Q(18.75)=&  1503.5587  
\\ Egy. (cm$^{-1}$) $>$&     0.0 & Q(9.375)=&   532.8032  
\\ $\mu_a$ = & 2.917             & A=& 7664.143 
\\ $\mu_b$ = & 1.465             & B=& 3844.500 
\\ $\mu_c$ = & 1.024             & C=& 2827.169 
\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 5 in the atom labeling scheme adopted.