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	hartrees
Energy at 0K	-454.712230
Energy at 298.15K	-454.716218
HF Energy	-454.712230
Nuclear repulsion energy	54.634001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3430	3310	2.80
2	A₁	1320	1274	20.91
3	A₁	605	583	2.76
4	E	3526	3403	61.81
4	E	3526	3403	61.81
5	E	1649	1592	30.87
5	E	1649	1592	30.87
6	E	832	803	26.50
6	E	832	803	26.50

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.092
S2	0.000	0.000	0.750
H3	0.000	0.953	-1.451
H4	0.826	-0.477	-1.451
H5	-0.826	-0.477	-1.451

	N1	S2	H3	H4	H5
N1		1.8420	1.0188	1.0188	1.0188
S2	1.8420		2.3987	2.3987	2.3987
H3	1.0188	2.3987		1.6515	1.6515
H4	1.0188	2.3987	1.6515		1.6515
H5	1.0188	2.3987	1.6515	1.6515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.635	S2	N1	H4	110.635
S2	N1	H5	110.635	H3	N1	H4	108.283
H3	N1	H5	108.283	H4	N1	H5	108.283

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: B3LYPultrafine/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	-0.430
2	S	-0.525
3	H	0.318
4	H	0.318
5	H	0.318

	x	y	z	Total
	0.000	0.000	-6.122	6.122
CHELPG
AIM
ESP

<r²>	38.058
(<r²>)^1/2	6.169

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: B3LYPultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)