# 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	-0.888057
1	H	1.0	+0.444029
2	H	1.0	+0.444029

# === Löwdin atomic charges ===
# idx	symbol	Z	charge
0	O	8.0	-0.657012
1	H	1.0	+0.328506
2	H	1.0	+0.328506

# === Mayer bond orders (top entries) ===
# i	j	sym_i	sym_j	order
0	1	O	H	0.7736
0	2	O	H	0.7736

# === Dipole moment ===
# x_ebohr	y_ebohr	z_ebohr	total_ebohr	total_debye
0.000000	0.000000	-0.886794	0.886794	2.254005
# origin_bohr = (0.000000, 0.000000, -0.129741)
