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	hartrees
Energy at 0K	-454.720624
Energy at 298.15K	-454.724598
HF Energy	-454.720624
Nuclear repulsion energy	54.203803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3382	3288	1.10
2	A₁	1302	1266	10.34
3	A₁	598	581	2.03
4	E	3480	3384	58.48
4	E	3480	3384	58.48
5	E	1643	1597	26.92
5	E	1643	1597	26.91
6	E	814	791	31.66
6	E	814	791	31.64

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.099
S2	0.000	0.000	0.757
H3	0.000	0.957	-1.471
H4	0.828	-0.478	-1.471
H5	-0.828	-0.478	-1.471

	N1	S2	H3	H4	H5
N1		1.8555	1.0264	1.0264	1.0264
S2	1.8555		2.4245	2.4245	2.4245
H3	1.0264	2.4245		1.6567	1.6567
H4	1.0264	2.4245	1.6567		1.6567
H5	1.0264	2.4245	1.6567	1.6567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	111.270	S2	N1	H4	111.270
S2	N1	H5	111.270	H3	N1	H4	107.614
H3	N1	H5	107.614	H4	N1	H5	107.614

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: TPSSh/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	-0.031
2	S	-0.464
3	H	0.165
4	H	0.165
5	H	0.165

	x	y	z	Total
	0.000	0.000	-6.143	6.143
CHELPG
AIM
ESP

<r²>	38.342
(<r²>)^1/2	6.192

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: TPSSh/cc-pVDZ

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)