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	hartrees
Energy at 0K	-454.762330
Energy at 298.15K	-454.766314
HF Energy	-454.762330
Nuclear repulsion energy	54.635169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3430	3430	1.56
2	A₁	1323	1323	25.38
3	A₁	596	596	2.85
4	E	3518	3518	67.95
4	E	3518	3518	67.95
5	E	1652	1652	34.19
5	E	1652	1652	34.19
6	E	832	832	20.66
6	E	832	832	20.66

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.094
S2	0.000	0.000	0.750
H3	0.000	0.952	-1.450
H4	0.824	-0.476	-1.450
H5	-0.824	-0.476	-1.450

	N1	S2	H3	H4	H5
N1		1.8439	1.0163	1.0163	1.0163
S2	1.8439		2.3977	2.3977	2.3977
H3	1.0163	2.3977		1.6481	1.6481
H4	1.0163	2.3977	1.6481		1.6481
H5	1.0163	2.3977	1.6481	1.6481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.560	S2	N1	H4	110.560
S2	N1	H5	110.560	H3	N1	H4	108.361
H3	N1	H5	108.361	H4	N1	H5	108.361

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: B3LYPultrafine/Def2TZVPP

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	-0.056
2	S	-0.500
3	H	0.185
4	H	0.185
5	H	0.185

	x	y	z	Total
	0.000	0.000	-5.941	5.941
CHELPG
AIM
ESP

<r²>	38.271
(<r²>)^1/2	6.186

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: B3LYPultrafine/Def2TZVPP

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)