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	hartrees
Energy at 0K	-454.712728
Energy at 298.15K	-454.716705
HF Energy	-454.712728
Nuclear repulsion energy	54.016868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3440	3312	9.03
2	A₁	1357	1306	18.47
3	A₁	581	559	8.40
4	E	3543	3410	86.13
4	E	3543	3410	86.13
5	E	1656	1595	35.21
5	E	1656	1595	35.21
6	E	835	804	32.02
6	E	835	804	32.02

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.109
S2	0.000	0.000	0.761
H3	0.000	0.954	-1.469
H4	0.826	-0.477	-1.469
H5	-0.826	-0.477	-1.469

	N1	S2	H3	H4	H5
N1		1.8703	1.0199	1.0199	1.0199
S2	1.8703		2.4259	2.4259	2.4259
H3	1.0199	2.4259		1.6528	1.6528
H4	1.0199	2.4259	1.6528		1.6528
H5	1.0199	2.4259	1.6528	1.6528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.673	S2	N1	H4	110.673
S2	N1	H5	110.673	H3	N1	H4	108.243
H3	N1	H5	108.243	H4	N1	H5	108.243

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: B3LYPultrafine/6-31+G**

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	-0.759
2	S	-0.374
3	H	0.378
4	H	0.378
5	H	0.378

	x	y	z	Total
	0.000	0.000	-6.342	6.342
CHELPG
AIM
ESP

<r²>	39.293
(<r²>)^1/2	6.268

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)