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	hartrees
Energy at 0K	-454.686055
Energy at 298.15K	-454.689984
HF Energy	-454.686055
Nuclear repulsion energy	53.977571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3318	3290	0.33
2	A₁	1261	1250	4.10
3	A₁	560	555	0.79
4	E	3410	3381	49.89
4	E	3410	3381	49.89
5	E	1601	1588	25.04
5	E	1601	1588	25.04
6	E	788	781	32.11
6	E	788	781	32.12

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.103
S2	0.000	0.000	0.761
H3	0.000	0.956	-1.482
H4	0.828	-0.478	-1.482
H5	-0.828	-0.478	-1.482

	N1	S2	H3	H4	H5
N1		1.8639	1.0287	1.0287	1.0287
S2	1.8639		2.4380	2.4380	2.4380
H3	1.0287	2.4380		1.6567	1.6567
H4	1.0287	2.4380	1.6567		1.6567
H5	1.0287	2.4380	1.6567	1.6567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	111.599	S2	N1	H4	111.599
S2	N1	H5	111.599	H3	N1	H4	107.262
H3	N1	H5	107.262	H4	N1	H5	107.262

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: B97D3/cc-pVDZ

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	0.003
2	S	-0.457
3	H	0.152
4	H	0.152
5	H	0.152

	x	y	z	Total
	0.000	0.000	-6.077	6.077
CHELPG
AIM
ESP

<r²>	38.538
(<r²>)^1/2	6.208

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: B97D3/cc-pVDZ

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)