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	hartrees
Energy at 0K	-454.727499
Energy at 298.15K	-454.731539
HF Energy	-454.727499
Nuclear repulsion energy	54.767822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3485	3326	3.53
2	A₁	1437	1372	11.87
3	A₁	614	586	4.49
4	E	3573	3410	64.47
4	E	3573	3410	64.47
5	E	1716	1638	40.25
5	E	1716	1638	40.25
6	E	904	863	63.89
6	E	904	863	63.89

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.089
S2	0.000	0.000	0.749
H3	0.000	0.947	-1.454
H4	0.820	-0.474	-1.454
H5	-0.820	-0.474	-1.454

	N1	S2	H3	H4	H5
N1		1.8373	1.0152	1.0152	1.0152
S2	1.8373		2.3974	2.3974	2.3974
H3	1.0152	2.3974		1.6407	1.6407
H4	1.0152	2.3974	1.6407		1.6407
H5	1.0152	2.3974	1.6407	1.6407

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	111.078	S2	N1	H4	111.078
S2	N1	H5	111.078	H3	N1	H4	107.818
H3	N1	H5	107.818	H4	N1	H5	107.818

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: mPW1PW91/6-311G*

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	-0.903
2	S	-0.375
3	H	0.426
4	H	0.426
5	H	0.426

	x	y	z	Total
	0.000	0.000	-6.498	6.498
CHELPG
AIM
ESP

<r²>	38.451
(<r²>)^1/2	6.201

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)