\\ Species Tag:        &   77002 & Name:&  C3H8O2 I 13C4
\\ Version:            &       1 & & 13C4 1,3 propanediol,
\\ Date:       &  March 2010     & & v = 0,1
\\ Contributor:&  B.J. Drouin    & & Conformer I  
\\             &                 & &
\\ Lines Listed:       &   21991 & Q(300.0)=& 152013.7493
\\ Freq. (GHz) $<$     &     300 & Q(225.0)=& 106460.3637  
\\ Max. J:             &      30 & Q(150.0)=&  62782.5051  
\\ LOGSTR0=            &   -10.0 & Q(75.00)=&  23729.7810  
\\ LOGSTR1=            &   -10.0 & Q(37.50)=&   8491.7423  
\\ Isotope Corr.:      &     0.0 & Q(18.75)=&   3006.4654  
\\ Egy. (cm$^{-1}$) $>$&     0.0 & Q(9.375)=&   1065.3896  
\\ $\mu_a$ = & 2.917             & A=& 7756.814 
\\ $\mu_b$ = & 1.465             & B=& 3887.882 
\\ $\mu_c$ = & 1.024             & C=& 2836.455 
\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 4 (the central Carbon atom) in the atom labeling scheme adopted.