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	hartrees
Energy at 0K	-451.520360
Energy at 298.15K	-451.524413
HF Energy	-451.520360
Nuclear repulsion energy	53.971208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3599	3249	28.52
2	A₁	1509	1362	150.91
3	A₁	608	549	24.82
4	E	3706	3345	90.06
4	E	3706	3345	90.06
5	E	1854	1673	53.94
5	E	1854	1673	53.94
6	E	928	838	51.88
6	E	928	838	51.88

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.121
S2	0.000	0.000	0.762
H3	0.000	0.954	-1.451
H4	0.826	-0.477	-1.451
H5	-0.826	-0.477	-1.451

	N1	S2	H3	H4	H5
N1		1.8834	1.0098	1.0098	1.0098
S2	1.8834		2.4104	2.4104	2.4104
H3	1.0098	2.4104		1.6529	1.6529
H4	1.0098	2.4104	1.6529		1.6529
H5	1.0098	2.4104	1.6529	1.6529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	109.078	S2	N1	H4	109.078
S2	N1	H5	109.078	H3	N1	H4	109.861
H3	N1	H5	109.861	H4	N1	H5	109.861

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: HF/3-21G*

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	-0.841
2	S	-0.358
3	H	0.399
4	H	0.399
5	H	0.399

	x	y	z	Total
	0.000	0.000	-6.377	6.377
CHELPG
AIM
ESP

<r²>	38.827
(<r²>)^1/2	6.231

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)