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	hartrees
Energy at 0K	-454.711414
Energy at 298.15K	-454.715433
HF Energy	-454.711414
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3485	3329	6.42
2	A₁	1370	1308	22.66
3	A₁	622	594	6.96
4	E	3586	3425	69.17
4	E	3586	3425	69.25
5	E	1652	1577	36.54
5	E	1652	1577	36.57
6	E	856	818	36.59
6	E	856	818	36.59

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.095
S2	0.000	0.000	0.751
H3	0.000	0.950	-1.452
H4	0.823	-0.475	-1.452
H5	-0.823	-0.475	-1.452

	N1	S2	H3	H4	H5
N1		1.8457	1.0152	1.0152	1.0152
S2	1.8457		2.3992	2.3992	2.3992
H3	1.0152	2.3992		1.6457	1.6457
H4	1.0152	2.3992	1.6457		1.6457
H5	1.0152	2.3992	1.6457	1.6457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.614	S2	N1	H4	110.614
S2	N1	H5	110.614	H3	N1	H4	108.305
H3	N1	H5	108.305	H4	N1	H5	108.305

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: wB97X-D/TZVP

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	-0.418
2	S	-0.435
3	H	0.284
4	H	0.284
5	H	0.284

	x	y	z	Total
	0.000	0.000	-6.283	6.283
CHELPG
AIM
ESP

<r²>	38.217
(<r²>)^1/2	6.182

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)