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

# === Mulliken atomic charges ===
# idx	symbol	Z	charge
0	O	8.0	-0.900290
1	H	1.0	+0.450145
2	H	1.0	+0.450145

# === Löwdin atomic charges ===
# idx	symbol	Z	charge
0	O	8.0	-0.649920
1	H	1.0	+0.324960
2	H	1.0	+0.324960

# === Mayer bond orders (top entries) ===
# i	j	sym_i	sym_j	order
0	1	O	H	0.7681
0	2	O	H	0.7681

# === Dipole moment ===
# x_ebohr	y_ebohr	z_ebohr	total_ebohr	total_debye
0.000000	0.000000	-0.861971	0.861971	2.190911
# origin_bohr = (-0.000000, -0.000000, -0.172217)
