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	hartrees
Energy at 0K	-454.716863
Energy at 298.15K	-454.720813
HF Energy	-454.716863
Nuclear repulsion energy	53.995221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3361	3312	0.05
2	A₁	1313	1294	5.39
3	A₁	561	553	2.12
4	E	3450	3400	58.38
4	E	3450	3400	58.37
5	E	1618	1595	34.05
5	E	1618	1595	34.05
6	E	811	800	35.65
6	E	811	800	35.66

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.109
S2	0.000	0.000	0.761
H3	0.000	0.954	-1.471
H4	0.826	-0.477	-1.471
H5	-0.826	-0.477	-1.471

	N1	S2	H3	H4	H5
N1		1.8706	1.0206	1.0206	1.0206
S2	1.8706		2.4279	2.4279	2.4279
H3	1.0206	2.4279		1.6528	1.6528
H4	1.0206	2.4279	1.6528		1.6528
H5	1.0206	2.4279	1.6528	1.6528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.770	S2	N1	H4	110.770
S2	N1	H5	110.770	H3	N1	H4	108.142
H3	N1	H5	108.142	H4	N1	H5	108.142

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: B97D3/TZVP

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	-0.403
2	S	-0.424
3	H	0.276
4	H	0.276
5	H	0.276

	x	y	z	Total
	0.000	0.000	-6.170	6.170
CHELPG
AIM
ESP

<r²>	38.906
(<r²>)^1/2	6.237

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)