\\ Species Tag:        &   76011 & Name:&  C3H8O2 I
\\ Version:            &       1 & & 1,3 propanediol,
\\ Date:       &  March 2010     & & v = 0,1
\\ Contributor:&  B.J. Drouin    & & Conformer I  
\\             &                 & &
\\ Lines Listed:       &   21811 & Q(300.0)=& 150865.3530
\\ Freq. (GHz) $<$     &     300 & Q(225.0)=& 105552.4007  
\\ Max. J:             &      30 & Q(150.0)=&  62153.3312  
\\ LOGSTR0=            &   -10.0 & Q(75.00)=&  23440.6022  
\\ LOGSTR1=            &   -10.0 & Q(37.50)=&   8381.8380  
\\ Isotope Corr.:      &     0.0 & Q(18.75)=&   2967.4252  
\\ Egy. (cm$^{-1}$) $>$&     0.0 & Q(9.375)=&   1051.5690  
\\ $\mu_a$ = & 2.917             & A=& 7701.2351
\\ $\mu_b$ = & 1.465             & B=& 3891.2952
\\ $\mu_c$ = & 1.024             & C=& 2854.5575
\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.  This value is 20\% smaller than that suggested in the cited work which assumed a rigid rotor.