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	hartrees
Energy at 0K	-454.697193
Energy at 298.15K	-454.701171
HF Energy	-454.697193
Nuclear repulsion energy	54.046417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3419	3284	2.36
2	A₁	1370	1316	18.04
3	A₁	581	558	5.22
4	E	3520	3381	56.12
4	E	3520	3381	56.13
5	E	1694	1627	36.60
5	E	1694	1627	36.60
6	E	843	810	45.86
6	E	843	810	45.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.107
S2	0.000	0.000	0.760
H3	0.000	0.955	-1.470
H4	0.827	-0.478	-1.470
H5	-0.827	-0.478	-1.470

	N1	S2	H3	H4	H5
N1		1.8671	1.0219	1.0219	1.0219
S2	1.8671		2.4262	2.4262	2.4262
H3	1.0219	2.4262		1.6544	1.6544
H4	1.0219	2.4262	1.6544		1.6544
H5	1.0219	2.4262	1.6544	1.6544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.819	S2	N1	H4	110.819
S2	N1	H5	110.819	H3	N1	H4	108.091
H3	N1	H5	108.091	H4	N1	H5	108.091

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: B3LYP/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	-0.797
2	S	-0.385
3	H	0.394
4	H	0.394
5	H	0.394

	x	y	z	Total
	0.000	0.000	-6.392	6.392
CHELPG
AIM
ESP

<r²>	38.721
(<r²>)^1/2	6.223

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)