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	hartrees
Energy at 0K	-452.530551
Energy at 298.15K	-452.534586
HF Energy	-452.530551
Nuclear repulsion energy	54.243679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3381	3211	4.53
2	A₁	1387	1317	54.10
3	A₁	625	594	4.35
4	E	3478	3302	64.20
4	E	3478	3302	64.20
5	E	1734	1647	47.74
5	E	1734	1647	47.74
6	E	887	842	54.16
6	E	887	842	54.16

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.103
S2	0.000	0.000	0.754
H3	0.000	0.967	-1.449
H4	0.837	-0.483	-1.449
H5	-0.837	-0.483	-1.449

	N1	S2	H3	H4	H5
N1		1.8572	1.0266	1.0266	1.0266
S2	1.8572		2.4056	2.4056	2.4056
H3	1.0266	2.4056		1.6744	1.6744
H4	1.0266	2.4056	1.6744		1.6744
H5	1.0266	2.4056	1.6744	1.6744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	109.669	S2	N1	H4	109.669
S2	N1	H5	109.669	H3	N1	H4	109.272
H3	N1	H5	109.272	H4	N1	H5	109.272

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: mPW1PW91/3-21G*

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	-0.756
2	S	-0.409
3	H	0.389
4	H	0.389
5	H	0.389

	x	y	z	Total
	0.000	0.000	-6.691	6.691
CHELPG
AIM
ESP

<r²>	38.261
(<r²>)^1/2	6.186

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: mPW1PW91/3-21G*

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)