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	hartrees
Energy at 0K	-449.294474
Energy at 298.15K	-449.298440
HF Energy	-449.294474
Nuclear repulsion energy	54.538148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3365	2968	161.06
2	A₁	1547	1365	13.38
3	A₁	641	565	3.97
4	E	3479	3068	7.82
4	E	3479	3068	7.82
5	E	1821	1606	7.90
5	E	1821	1606	7.90
6	E	906	799	66.51
6	E	906	799	66.51

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.057
S2	0.000	0.000	0.747
H3	0.000	0.962	-1.518
H4	0.833	-0.481	-1.518
H5	-0.833	-0.481	-1.518

	N1	S2	H3	H4	H5
N1		1.8045	1.0665	1.0665	1.0665
S2	1.8045		2.4610	2.4610	2.4610
H3	1.0665	2.4610		1.6659	1.6659
H4	1.0665	2.4610	1.6659		1.6659
H5	1.0665	2.4610	1.6659	1.6659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	115.598	S2	N1	H4	115.598
S2	N1	H5	115.598	H3	N1	H4	102.708
H3	N1	H5	102.708	H4	N1	H5	102.708

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: PBE1PBE/STO-3G

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	-0.370
2	S	-0.305
3	H	0.225
4	H	0.225
5	H	0.225

	x	y	z	Total
	0.000	0.000	-5.445	5.445
CHELPG
AIM
ESP

<r²>	36.038
(<r²>)^1/2	6.003

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)