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	hartrees
Energy at 0K	-454.502953
Energy at 298.15K	-454.506929
HF Energy	-454.502953
Nuclear repulsion energy	54.617605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3337	3314	0.14
2	A₁	1270	1261	11.90
3	A₁	609	605	0.29
4	E	3418	3395	61.75
4	E	3418	3395	61.75
5	E	1598	1587	32.50
5	E	1598	1587	32.50
6	E	809	803	20.53
6	E	809	803	20.53

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.090
S2	0.000	0.000	0.749
H3	0.000	0.959	-1.452
H4	0.830	-0.479	-1.452
H5	-0.830	-0.479	-1.452

	N1	S2	H3	H4	H5
N1		1.8385	1.0248	1.0248	1.0248
S2	1.8385		2.4006	2.4006	2.4006
H3	1.0248	2.4006		1.6603	1.6603
H4	1.0248	2.4006	1.6603		1.6603
H5	1.0248	2.4006	1.6603	1.6603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.709	S2	N1	H4	110.709
S2	N1	H5	110.709	H3	N1	H4	108.206
H3	N1	H5	108.206	H4	N1	H5	108.206

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: PBEPBEultrafine/cc-pVTZ

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	-0.011
2	S	-0.521
3	H	0.177
4	H	0.177
5	H	0.177

	x	y	z	Total
	0.000	0.000	-5.993	5.993
CHELPG
AIM
ESP

<r²>	38.216
(<r²>)^1/2	6.182

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)