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	hartrees
Energy at 0K	-454.746396
Energy at 298.15K	-454.750419
HF Energy	-454.746396
Nuclear repulsion energy	55.236276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3468	3468	1.33
2	A₁	1337	1337	25.19
3	A₁	640	640	1.95
4	E	3562	3562	70.88
4	E	3562	3562	70.88
5	E	1657	1657	34.70
5	E	1657	1657	34.70
6	E	854	854	21.34
6	E	854	854	21.34

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.077
S2	0.000	0.000	0.740
H3	0.000	0.949	-1.434
H4	0.822	-0.475	-1.434
H5	-0.822	-0.475	-1.434

	N1	S2	H3	H4	H5
N1		1.8174	1.0144	1.0144	1.0144
S2	1.8174		2.3729	2.3729	2.3729
H3	1.0144	2.3729		1.6444	1.6444
H4	1.0144	2.3729	1.6444		1.6444
H5	1.0144	2.3729	1.6444	1.6444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.625	S2	N1	H4	110.625
S2	N1	H5	110.625	H3	N1	H4	108.293
H3	N1	H5	108.293	H4	N1	H5	108.293

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: mPW1PW91/Def2TZVPP

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	-0.045
2	S	-0.535
3	H	0.193
4	H	0.193
5	H	0.193

	x	y	z	Total
	0.000	0.000	-6.011	6.011
CHELPG
AIM
ESP

<r²>	37.537
(<r²>)^1/2	6.127

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: mPW1PW91/Def2TZVPP

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)