Molecule 01-Carbon-Energy.log
Energy: -37.7131454546
Geometry:
Atom  Atomic No.   x                y               z
 1      6       0.000000        0.000000        0.000000
   Atom      QA       DA(alpha)   DA(beta)    DA(total)
Molecule 02-Methanide-Geometry.log
Energy: -39.6946868929
Geometry:
Atom  Atomic No.   x                y               z
 1      6       0.000000        0.000000        0.000000
2       1       0.000000        1.084453        0.000000
3       1       -0.939164       -0.542227       0.000000
4       1       0.939164        -0.542227       0.000000
   Atom      QA       DA(alpha)   DA(beta)    DA(total)