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	hartrees
Energy at 0K	-454.477541
Energy at 298.15K	-454.481511
HF Energy	-454.477541
Nuclear repulsion energy	54.294847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3326	3306	0.28
2	A₁	1256	1248	15.83
3	A₁	610	606	0.21
4	E	3422	3401	65.41
4	E	3422	3401	65.41
5	E	1564	1555	29.72
5	E	1564	1555	29.71
6	E	802	797	15.97
6	E	802	797	15.97

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.097
S2	0.000	0.000	0.754
H3	0.000	0.961	-1.462
H4	0.833	-0.481	-1.462
H5	-0.833	-0.481	-1.462

	N1	S2	H3	H4	H5
N1		1.8508	1.0285	1.0285	1.0285
S2	1.8508		2.4157	2.4158	2.4158
H3	1.0285	2.4157		1.6653	1.6653
H4	1.0285	2.4158	1.6653		1.6653
H5	1.0285	2.4158	1.6653	1.6653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.808	S2	N1	H4	110.808
S2	N1	H5	110.808	H3	N1	H4	108.103
H3	N1	H5	108.103	H4	N1	H5	108.102

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: PBEPBEultrafine/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	-0.103
2	S	-0.198
3	H	0.100
4	H	0.100
5	H	0.100

	x	y	z	Total
	0.000	0.000	-5.977	5.977
CHELPG
AIM
ESP

<r²>	38.939
(<r²>)^1/2	6.240

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)