# Name of the theory (B3LYP, SVWN, BOP etc. or HF for the Hartree-Fock)
"HF"

# Name of the basis set (STO-3G, 6-31Gxx etc.)
"STO-3G"

# Type of job and times of optimization (dryrun,energy,gradient,optimize,vibration)
"vibration" 1

# Additional calculation (0=off,1=Polarizability,2=Atomic BSSE,4=Raman)
7

# Cube files output (0=off,1=Orbital,2=Density,4=Potential)
7

# File name to load the initial Rho etc, if it exists. (eg ./abc.bin)
""

# Suffix attached to output files (eg "_2nd")
""

# Ghost atoms from #-th to #-th (eg 0 0 for no ghost)
0 0

# Name of the molecule
"Glycine"

# Charge of the molecule (Cation>0, Anion<0)
0

# Spin multiplicity of the molecule (Singlet=1)
1

# Symbol and cartesian coordinate[Ang] of atoms in the molecule
C     -0.5079146203    -0.2142595723     0.0000000000
O     -1.2171571626     0.7742562492     0.0000000000
O     -1.0259683358    -1.5031316431     0.0000000000
C      1.0439805213    -0.2142595723     0.0000000000
N      1.6370280372     1.1439322594     0.0000000000
H     -2.0084251544    -1.3801870409     0.0000000000
H      1.3887780783    -0.7595732179     0.8803995476
H      1.3887780783    -0.7595732179    -0.8803995476
H      1.2501406591     1.6469628395     0.8156816088
H      1.2501406591     1.6469628395    -0.8156816088
