\\ Species Tag:        &   76012 & Name:&  C3H8O2 II
\\ Version:            &       1 & & 1,3 propanediol,
\\ Date:       &  March 2010     & & v = 0,1
\\ Contributor:&  B.J. Drouin    & & Conformer II  
\\             &                 & &
\\ Lines Listed:       &   21295 & Q(300.0)=& 90836.7418
\\ Freq. (GHz) $<$     &     300 & Q(225.0)=& 53600.5819  
\\ Max. J:             &      30 & Q(150.0)=& 22443.3757  
\\ LOGSTR0=            &   -10.0 & Q(75.00)=&  3038.0698  
\\ LOGSTR1=            &   -10.0 & Q(37.50)=&   139.5607  
\\ Isotope Corr.:      &     0.0 & Q(18.75)=&     0.8145  
\\ Egy. (cm$^{-1}$) $>$&   107.0 & Q(9.375)=&     0.0001  
\\ $\mu_a$ = & 1.80             & A=& 7701.2351
\\ $\mu_b$ = & 2.13             & B=& 3891.2952
\\ $\mu_c$ = &-0.65             & C=& 2854.5575
\headend
 
The data set used is from D. F. Plusquellic et al. J. Phys. Chem. A 2009, 113, 12911-12918.  The dipole moment and conformer energy is from theory.  The partition function was calculated with a summation over predicted energy levels up to $J$ = 250.