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	hartrees
Energy at 0K	-21.811602
Energy at 298.15K	-21.815576
HF Energy	-21.811602
Nuclear repulsion energy	21.054880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3422	3305	2.09
2	A₁	1377	1329	11.12
3	A₁	588	568	4.56
4	E	3530	3409	48.95
4	E	3530	3409	48.94
5	E	1673	1616	33.98
5	E	1673	1616	33.98
6	E	831	803	58.27
6	E	831	803	58.26

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.111
S2	0.000	0.000	0.763
H3	0.000	0.960	-1.478
H4	0.831	-0.480	-1.478
H5	-0.831	-0.480	-1.478

	N1	S2	H3	H4	H5
N1		1.8736	1.0281	1.0281	1.0281
S2	1.8736		2.4383	2.4383	2.4383
H3	1.0281	2.4383		1.6630	1.6630
H4	1.0281	2.4383	1.6630		1.6630
H5	1.0281	2.4383	1.6630	1.6630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.957	S2	N1	H4	110.957
S2	N1	H5	110.957	H3	N1	H4	107.945
H3	N1	H5	107.945	H4	N1	H5	107.945

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: B3LYP/CEP-31G*

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	-0.690
2	S	-0.404
3	H	0.365
4	H	0.365
5	H	0.365

	x	y	z	Total
	0.000	0.000	-6.298	6.298
CHELPG
AIM
ESP

<r²>	30.284
(<r²>)^1/2	5.503

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)