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	hartrees
Energy at 0K	-454.694194
Energy at 298.15K	-454.698216
HF Energy	-454.694194
Nuclear repulsion energy	54.699506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3459	3302	2.92
2	A₁	1395	1332	19.93
3	A₁	620	592	4.68
4	E	3566	3405	64.30
4	E	3566	3405	64.30
5	E	1701	1624	38.48
5	E	1701	1624	38.48
6	E	871	832	47.63
6	E	871	832	47.63

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.089
S2	0.000	0.000	0.749
H3	0.000	0.951	-1.454
H4	0.824	-0.476	-1.454
H5	-0.824	-0.476	-1.454

	N1	S2	H3	H4	H5
N1		1.8382	1.0187	1.0187	1.0187
S2	1.8382		2.3996	2.3996	2.3996
H3	1.0187	2.3996		1.6473	1.6473
H4	1.0187	2.3996	1.6473		1.6473
H5	1.0187	2.3996	1.6473	1.6473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.990	S2	N1	H4	110.990
S2	N1	H5	110.990	H3	N1	H4	107.911
H3	N1	H5	107.911	H4	N1	H5	107.911

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: B1B95/6-31G**

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	-0.836
2	S	-0.388
3	H	0.408
4	H	0.408
5	H	0.408

	x	y	z	Total
	0.000	0.000	-6.440	6.440
CHELPG
AIM
ESP

<r²>	37.968
(<r²>)^1/2	6.162

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)