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	hartrees
Energy at 0K	-454.763361
Energy at 298.15K	-454.767356
HF Energy	-454.763361
Nuclear repulsion energy	54.676692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3437	3323	2.21
2	A₁	1331	1287	32.86
3	A₁	601	581	2.68
4	E	3523	3407	73.02
4	E	3523	3407	73.02
5	E	1653	1599	31.48
5	E	1653	1599	31.47
6	E	840	812	14.75
6	E	840	812	14.75

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.092
S2	0.000	0.000	0.749
H3	0.000	0.953	-1.448
H4	0.825	-0.476	-1.448
H5	-0.825	-0.476	-1.448

	N1	S2	H3	H4	H5
N1		1.8419	1.0166	1.0166	1.0166
S2	1.8419		2.3948	2.3948	2.3948
H3	1.0166	2.3948		1.6498	1.6498
H4	1.0166	2.3948	1.6498		1.6498
H5	1.0166	2.3948	1.6498	1.6498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.457	S2	N1	H4	110.457
S2	N1	H5	110.457	H3	N1	H4	108.468
H3	N1	H5	108.468	H4	N1	H5	108.468

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: B3LYP/6-311+G(3df,2p)

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	-0.208
2	S	-0.483
3	H	0.230
4	H	0.230
5	H	0.230

	x	y	z	Total
	0.000	0.000	-5.961	5.961
CHELPG
AIM
ESP

	x	y	z
x	4.994	0.000	0.000
y	0.000	4.995	-0.001
z	0.000	-0.001	6.001

<r²>	38.545
(<r²>)^1/2	6.208

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)