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	hartrees
Energy at 0K	-454.660343
Energy at 298.15K	-454.664255
HF Energy	-454.660343
Nuclear repulsion energy	53.500043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3316	3291	0.07
2	A₁	1281	1272	5.03
3	A₁	546	542	2.00
4	E	3409	3383	43.16
4	E	3409	3383	43.16
5	E	1619	1607	30.62
5	E	1619	1607	30.62
6	E	783	777	43.53
6	E	783	777	43.53

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.120
S2	0.000	0.000	0.769
H3	0.000	0.961	-1.486
H4	0.832	-0.481	-1.486
H5	-0.832	-0.481	-1.486

	N1	S2	H3	H4	H5
N1		1.8886	1.0287	1.0287	1.0287
S2	1.8886		2.4514	2.4514	2.4514
H3	1.0287	2.4514		1.6649	1.6649
H4	1.0287	2.4514	1.6649		1.6649
H5	1.0287	2.4514	1.6649	1.6649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.874	S2	N1	H4	110.874
S2	N1	H5	110.874	H3	N1	H4	108.033
H3	N1	H5	108.033	H4	N1	H5	108.033

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: BLYP/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	-0.569
2	S	-0.391
3	H	0.320
4	H	0.320
5	H	0.320

	x	y	z	Total
	0.000	0.000	-6.345	6.345
CHELPG
AIM
ESP

<r²>	39.321
(<r²>)^1/2	6.271

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)