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	hartrees
Energy at 0K	-454.708487
Energy at 298.15K	-454.712479
HF Energy	-454.708487
Nuclear repulsion energy	54.581706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3446	3302	3.02
2	A₁	1307	1253	17.49
3	A₁	614	588	2.92
4	E	3551	3403	72.31
4	E	3551	3403	72.31
5	E	1636	1567	30.14
5	E	1636	1567	30.14
6	E	827	792	33.21
6	E	827	792	33.21

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.090
S2	0.000	0.000	0.751
H3	0.000	0.953	-1.461
H4	0.825	-0.476	-1.461
H5	-0.825	-0.476	-1.461

	N1	S2	H3	H4	H5
N1		1.8406	1.0223	1.0223	1.0223
S2	1.8406		2.4081	2.4081	2.4081
H3	1.0223	2.4081		1.6498	1.6498
H4	1.0223	2.4081	1.6498		1.6498
H5	1.0223	2.4081	1.6498	1.6498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	111.287	S2	N1	H4	111.287
S2	N1	H5	111.287	H3	N1	H4	107.596
H3	N1	H5	107.596	H4	N1	H5	107.596

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: mPW1PW91/cc-pVDZ

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	-0.048
2	S	-0.460
3	H	0.169
4	H	0.169
5	H	0.169

	x	y	z	Total
	0.000	0.000	-6.157	6.157
CHELPG
AIM
ESP

<r²>	37.929
(<r²>)^1/2	6.159

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)