title     This is a sample input file.                                                    
pool     ./pool                                                                          
basis     cc-pVTZ.bas                                                                     
molecule     methane.xyz                                                                     
determinants     sample.det                                                                      
optimize_wave              T
nextorb            280
sr_eps         0.1000000000E-02
Debug              T     # default value
sr_tau         0.2500000000E-01
nspin1              1
energy_tol         0.1000000000E-04
opt_method     sr_n                                                                            
multiple_adiag              F
tau         0.3999999911E-01
etrial         -408.1744362             eV
# above item originally: etrial         -15.00000000     Ha        
%block molecule
%block molecule
 5
 Methane
   H      0.5288      0.1610      0.9359
   C      0.0000      0.0000      0.0000
   H      0.2051      0.8240     -0.6786
   H      0.3345     -0.9314     -0.4496
   H     -1.0685     -0.0537      0.1921
%endblock molecule
#:defined? determinants              T