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	hartrees
Energy at 0K	-21.326145
Energy at 298.15K	-21.330200
HF Energy	-21.326145
Nuclear repulsion energy	21.384055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3685	3329	16.12
2	A₁	1533	1385	51.71
3	A₁	616	556	22.97
4	E	3799	3432	60.42
4	E	3799	3432	60.42
5	E	1834	1657	39.35
5	E	1834	1657	39.35
6	E	922	833	37.93
6	E	922	833	37.93

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.101
S2	0.000	0.000	0.755
H3	0.000	0.940	-1.457
H4	0.814	-0.470	-1.457
H5	-0.814	-0.470	-1.457

	N1	S2	H3	H4	H5
N1		1.8562	1.0055	1.0055	1.0055
S2	1.8562		2.4040	2.4040	2.4040
H3	1.0055	2.4040		1.6285	1.6285
H4	1.0055	2.4040	1.6285		1.6285
H5	1.0055	2.4040	1.6285	1.6285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.754	S2	N1	H4	110.754
S2	N1	H5	110.754	H3	N1	H4	108.159
H3	N1	H5	108.159	H4	N1	H5	108.159

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: HF/CEP-121G*

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	-0.804
2	S	-0.410
3	H	0.405
4	H	0.405
5	H	0.405

	x	y	z	Total
	0.000	0.000	-6.261	6.261
CHELPG
AIM
ESP

<r²>	29.914
(<r²>)^1/2	5.469

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)