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	hartrees
Energy at 0K	-454.749825
Energy at 298.15K	-454.753850
HF Energy	-454.749825
Nuclear repulsion energy	55.112361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3470	3329	2.13
2	A₁	1334	1280	28.02
3	A₁	638	612	2.17
4	E	3565	3420	72.04
4	E	3565	3420	72.04
5	E	1658	1590	34.93
5	E	1658	1590	34.93
6	E	852	818	20.93
6	E	852	818	20.93

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.081
S2	0.000	0.000	0.742
H3	0.000	0.950	-1.436
H4	0.823	-0.475	-1.436
H5	-0.823	-0.475	-1.436

	N1	S2	H3	H4	H5
N1		1.8234	1.0142	1.0142	1.0142
S2	1.8234		2.3768	2.3768	2.3768
H3	1.0142	2.3768		1.6453	1.6453
H4	1.0142	2.3768	1.6453		1.6453
H5	1.0142	2.3768	1.6453	1.6453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.510	S2	N1	H4	110.510
S2	N1	H5	110.510	H3	N1	H4	108.413
H3	N1	H5	108.413	H4	N1	H5	108.413

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: mPW1PW91/cc-pVTZ

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	0.031
2	S	-0.529
3	H	0.166
4	H	0.166
5	H	0.166

	x	y	z	Total
	0.000	0.000	-6.023	6.023
CHELPG
AIM
ESP

<r²>	37.666
(<r²>)^1/2	6.137

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)