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	hartrees
Energy at 0K	-454.434954
Energy at 298.15K	-454.438926
HF Energy	-454.434954
Nuclear repulsion energy	54.186784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3315	3267	0.80
2	A₁	1334	1315	3.23
3	A₁	591	582	0.69
4	E	3405	3356	46.05
4	E	3405	3356	46.05
5	E	1646	1622	34.39
5	E	1646	1622	34.39
6	E	830	818	50.69
6	E	830	818	50.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.097
S2	0.000	0.000	0.756
H3	0.000	0.961	-1.471
H4	0.832	-0.480	-1.471
H5	-0.832	-0.480	-1.471

	N1	S2	H3	H4	H5
N1		1.8535	1.0306	1.0306	1.0306
S2	1.8535		2.4253	2.4253	2.4253
H3	1.0306	2.4253		1.6638	1.6638
H4	1.0306	2.4253	1.6638		1.6638
H5	1.0306	2.4253	1.6638	1.6638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	111.244	S2	N1	H4	111.244
S2	N1	H5	111.244	H3	N1	H4	107.641
H3	N1	H5	107.641	H4	N1	H5	107.641

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: PBEPBE/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	-0.790
2	S	-0.396
3	H	0.396
4	H	0.396
5	H	0.396

	x	y	z	Total
	0.000	0.000	-6.484	6.484
CHELPG
AIM
ESP

<r²>	38.523
(<r²>)^1/2	6.207

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)