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	hartrees
Energy at 0K	-454.665982
Energy at 298.15K	-454.669915
HF Energy	-454.665982
Nuclear repulsion energy	54.054732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3318	3300	0.01
2	A₁	1266	1259	7.59
3	A₁	568	565	0.84
4	E	3402	3383	47.45
4	E	3402	3383	47.45
5	E	1607	1598	27.16
5	E	1607	1598	27.16
6	E	789	785	27.02
6	E	789	785	27.02

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.104
S2	0.000	0.000	0.759
H3	0.000	0.960	-1.469
H4	0.832	-0.480	-1.469
H5	-0.832	-0.480	-1.469

	N1	S2	H3	H4	H5
N1		1.8631	1.0272	1.0272	1.0272
S2	1.8631		2.4258	2.4258	2.4258
H3	1.0272	2.4258		1.6633	1.6633
H4	1.0272	2.4258	1.6633		1.6633
H5	1.0272	2.4258	1.6633	1.6633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.786	S2	N1	H4	110.786
S2	N1	H5	110.786	H3	N1	H4	108.125
H3	N1	H5	108.125	H4	N1	H5	108.125

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: BLYP/6-31G(2df,p)

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	-0.376
2	S	-0.528
3	H	0.301
4	H	0.301
5	H	0.301

	x	y	z	Total
	0.000	0.000	-6.099	6.099
CHELPG
AIM
ESP

<r²>	38.674
(<r²>)^1/2	6.219

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)