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	hartrees
Energy at 0K	-454.634286
Energy at 298.15K	-454.638286
HF Energy	-454.634286
Nuclear repulsion energy	54.538815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3446	3303	1.97
2	A₁	1349	1293	18.96
3	A₁	607	582	4.27
4	E	3557	3409	64.72
4	E	3557	3409	64.72
5	E	1662	1592	37.34
5	E	1662	1592	37.34
6	E	850	814	45.24
6	E	850	814	45.24

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.094
S2	0.000	0.000	0.752
H3	0.000	0.953	-1.456
H4	0.825	-0.476	-1.456
H5	-0.825	-0.476	-1.456

	N1	S2	H3	H4	H5
N1		1.8456	1.0194	1.0194	1.0194
S2	1.8456		2.4046	2.4046	2.4046
H3	1.0194	2.4046		1.6505	1.6505
H4	1.0194	2.4046	1.6505		1.6505
H5	1.0194	2.4046	1.6505	1.6505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.807	S2	N1	H4	110.807
S2	N1	H5	110.807	H3	N1	H4	108.103
H3	N1	H5	108.103	H4	N1	H5	108.103

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: B3PW91/6-31G**

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	-0.659
2	S	-0.394
3	H	0.351
4	H	0.351
5	H	0.351

	x	y	z	Total
	0.000	0.000	-6.463	6.463
CHELPG
AIM
ESP

<r²>	38.154
(<r²>)^1/2	6.177

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)