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	hartrees
Energy at 0K	-454.450215
Energy at 298.15K	-454.454191
HF Energy	-454.450215
Nuclear repulsion energy	54.739877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3335	3301	0.11
2	A₁	1273	1260	6.65
3	A₁	613	607	0.17
4	E	3425	3390	53.42
4	E	3425	3390	53.41
5	E	1598	1582	28.72
5	E	1598	1582	28.72
6	E	812	804	28.26
6	E	812	804	28.27

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.084
S2	0.000	0.000	0.747
H3	0.000	0.959	-1.452
H4	0.831	-0.480	-1.452
H5	-0.831	-0.480	-1.452

	N1	S2	H3	H4	H5
N1		1.8307	1.0272	1.0272	1.0272
S2	1.8307		2.3983	2.3983	2.3983
H3	1.0272	2.3983		1.6614	1.6614
H4	1.0272	2.3983	1.6614		1.6614
H5	1.0272	2.3983	1.6614	1.6614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.960	S2	N1	H4	110.960
S2	N1	H5	110.960	H3	N1	H4	107.943
H3	N1	H5	107.943	H4	N1	H5	107.943

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.422
2	S	-0.541
3	H	0.321
4	H	0.321
5	H	0.321

	x	y	z	Total
	0.000	0.000	-6.174	6.174
CHELPG
AIM
ESP

<r²>	37.895
(<r²>)^1/2	6.156

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)