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	hartrees
Energy at 0K	-454.699951
Energy at 298.15K	-454.703972
HF Energy	-454.699951
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3474	3326	4.03
2	A₁	1325	1269	43.45
3	A₁	639	611	3.36
4	E	3588	3435	73.35
4	E	3588	3435	73.44
5	E	1626	1556	32.81
5	E	1626	1556	32.88
6	E	847	811	16.66
6	E	847	811	16.68

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.091
S2	0.000	0.000	0.749
H3	0.000	0.954	-1.448
H4	0.826	-0.477	-1.448
H5	-0.826	-0.477	-1.448

	N1	S2	H3	H4	H5
N1		1.8400	1.0188	1.0188	1.0188
S2	1.8400		2.3953	2.3953	2.3953
H3	1.0188	2.3953		1.6526	1.6526
H4	1.0188	2.3953	1.6526		1.6526
H5	1.0188	2.3953	1.6526	1.6526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.516	S2	N1	H4	110.516
S2	N1	H5	110.516	H3	N1	H4	108.406
H3	N1	H5	108.406	H4	N1	H5	108.406

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: wB97X-D/aug-cc-pVDZ

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	-0.179
2	S	-0.176
3	H	0.118
4	H	0.118
5	H	0.118

	x	y	z	Total
	0.000	0.000	-6.064	6.064
CHELPG
AIM
ESP

	x	y	z
x	4.930	0.000	0.000
y	0.000	4.933	-0.000
z	0.000	-0.000	6.088

<r²>	38.391
(<r²>)^1/2	6.196

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)