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	hartrees
Energy at 0K	-454.641012
Energy at 298.15K	-454.645026
HF Energy	-454.641012
Nuclear repulsion energy	55.065624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3446	3313	2.22
2	A₁	1326	1275	21.16
3	A₁	632	608	1.81
4	E	3549	3412	66.87
4	E	3549	3412	66.87
5	E	1647	1583	32.47
5	E	1647	1583	32.47
6	E	849	816	27.36
6	E	849	816	27.36

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.080
S2	0.000	0.000	0.742
H3	0.000	0.952	-1.440
H4	0.825	-0.476	-1.440
H5	-0.825	-0.476	-1.440

	N1	S2	H3	H4	H5
N1		1.8225	1.0181	1.0181	1.0181
S2	1.8225		2.3810	2.3810	2.3810
H3	1.0181	2.3810		1.6497	1.6497
H4	1.0181	2.3810	1.6497		1.6497
H5	1.0181	2.3810	1.6497	1.6497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.686	S2	N1	H4	110.686
S2	N1	H5	110.686	H3	N1	H4	108.229
H3	N1	H5	108.229	H4	N1	H5	108.229

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: B3PW91/6-31G(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	-0.480
2	S	-0.533
3	H	0.338
4	H	0.338
5	H	0.338

	x	y	z	Total
	0.000	0.000	-6.185	6.185
CHELPG
AIM
ESP

<r²>	37.549
(<r²>)^1/2	6.128

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)