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	hartrees
Energy at 0K	-454.721999
Energy at 298.15K	-454.726032
HF Energy	-454.721999
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3486	3486	3.79
2	A₁	1352	1352	43.75
3	A₁	642	642	3.28
4	E	3584	3584	75.70
4	E	3584	3584	75.81
5	E	1660	1660	32.79
5	E	1660	1660	32.83
6	E	863	863	15.14
6	E	863	863	15.15

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.079
S2	0.000	0.000	0.741
H3	0.000	0.951	-1.433
H4	0.824	-0.476	-1.433
H5	-0.824	-0.476	-1.433

	N1	S2	H3	H4	H5
N1		1.8201	1.0148	1.0148	1.0148
S2	1.8201		2.3731	2.3731	2.3731
H3	1.0148	2.3731		1.6472	1.6472
H4	1.0148	2.3731	1.6472		1.6472
H5	1.0148	2.3731	1.6472	1.6472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.423	S2	N1	H4	110.423
S2	N1	H5	110.423	H3	N1	H4	108.503
H3	N1	H5	108.503	H4	N1	H5	108.503

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: wB97X-D/6-311+G(3df,2p)

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	-0.139
2	S	-0.500
3	H	0.213
4	H	0.213
5	H	0.213

	x	y	z	Total
	0.000	0.000	-6.058	6.058
CHELPG
AIM
ESP

<r²>	37.851
(<r²>)^1/2	6.152

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: wB97X-D/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)