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	hartrees
Energy at 0K	-452.342965
Energy at 298.15K	-452.346997
HF Energy	-452.342965
Nuclear repulsion energy	54.244137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3373	3237	3.80
2	A₁	1382	1327	51.30
3	A₁	625	600	4.15
4	E	3468	3329	62.82
4	E	3468	3329	62.81
5	E	1730	1661	47.31
5	E	1730	1661	47.31
6	E	884	849	54.11
6	E	884	849	54.09

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.103
S2	0.000	0.000	0.754
H3	0.000	0.967	-1.449
H4	0.838	-0.484	-1.449
H5	-0.838	-0.484	-1.449

	N1	S2	H3	H4	H5
N1		1.8566	1.0274	1.0274	1.0274
S2	1.8566		2.4058	2.4058	2.4058
H3	1.0274	2.4058		1.6755	1.6755
H4	1.0274	2.4058	1.6755		1.6755
H5	1.0274	2.4058	1.6755	1.6755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	109.686	S2	N1	H4	109.686
S2	N1	H5	109.686	H3	N1	H4	109.256
H3	N1	H5	109.256	H4	N1	H5	109.256

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: HSEh1PBE/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	-0.752
2	S	-0.411
3	H	0.387
4	H	0.387
5	H	0.387

	x	y	z	Total
	0.000	0.000	-6.697	6.697
CHELPG
AIM
ESP

<r²>	38.274
(<r²>)^1/2	6.187

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: HSEh1PBE/3-21G*

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)