# vibe-qc population / properties dump
# Sections: mulliken charges, löwdin charges,
# hirshfeld charges, mayer bond orders (top-N), dipole moment.
# Tab-separated. Lines starting with '#' are comments.

# === Mulliken atomic charges ===
# idx	symbol	Z	charge
0	Mg	12.0	+1.568650
1	O	8.0	-0.910433

# === Löwdin atomic charges ===
# idx	symbol	Z	charge
0	Mg	12.0	+1.568650
1	O	8.0	-0.910433

# === Hirshfeld atomic charges ===
# idx	symbol	Z	charge
0	Mg	12.0	+1.569199
1	O	8.0	-0.910981

# === Mayer bond orders (top entries) ===
# i	j	sym_i	sym_j	order
0	1	Mg	O	0.5483

# === Wiberg bond indices (top entries) ===
# i	j	sym_i	sym_j	order
0	1	Mg	O	0.5480

# === NPA atomic charges ===
# idx	symbol	Z	charge
0	Mg	12.0	+1.568903
1	O	8.0	-0.910686

# === Dipole moment ===
# x_ebohr	y_ebohr	z_ebohr	total_ebohr	total_debye
-4.668396	-4.668396	-4.668396	8.085900	20.552308
# origin_bohr = (1.579424, 1.579424, 1.579424)
