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	hartrees
Energy at 0K	-454.721929
Energy at 298.15K	-454.725871
HF Energy	-454.721929
Nuclear repulsion energy	54.048530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3330	3312	0.10
2	A₁	1278	1271	19.35
3	A₁	564	561	1.13
4	E	3407	3388	67.04
4	E	3407	3388	67.05
5	E	1612	1603	29.30
5	E	1612	1603	29.29
6	E	800	796	13.66
6	E	800	796	13.66

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.107
S2	0.000	0.000	0.759
H3	0.000	0.960	-1.465
H4	0.831	-0.480	-1.465
H5	-0.831	-0.480	-1.465

	N1	S2	H3	H4	H5
N1		1.8661	1.0245	1.0245	1.0245
S2	1.8661		2.4224	2.4224	2.4224
H3	1.0245	2.4224		1.6625	1.6625
H4	1.0245	2.4224	1.6625		1.6625
H5	1.0245	2.4224	1.6625	1.6625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.455	S2	N1	H4	110.455
S2	N1	H5	110.455	H3	N1	H4	108.469
H3	N1	H5	108.469	H4	N1	H5	108.469

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: BLYP/6-311+G(3df,2p)

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	-0.235
2	S	-0.489
3	H	0.241
4	H	0.241
5	H	0.241

	x	y	z	Total
	0.000	0.000	-5.938	5.938
CHELPG
AIM
ESP

	x	y	z
x	5.259	0.000	0.000
y	0.000	5.260	-0.001
z	0.000	-0.001	6.310

<r²>	39.312
(<r²>)^1/2	6.270

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)