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	hartrees
Energy at 0K	-131.768077
Energy at 298.15K
HF Energy	-131.768077
Nuclear repulsion energy	39.035506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3781	3644	31.25	62.77	0.29	0.45
2	A'	3418	3294	1.87	112.37	0.11	0.20
3	A'	1671	1610	20.62	9.55	0.65	0.79
4	A'	1392	1341	24.95	3.46	0.69	0.82
5	A'	1146	1104	128.98	1.45	0.47	0.64
6	A'	911	878	13.19	14.94	0.24	0.38
7	A"	3500	3373	0.03	62.68	0.75	0.86
8	A"	1316	1268	0.00	9.38	0.75	0.86
9	A"	425	410	198.37	2.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.712	0.000
O2	-0.011	-0.742	0.000
H3	-0.956	-0.940	0.000
H4	0.558	0.949	0.813
H5	0.558	0.949	-0.813

	N1	O2	H3	H4	H5
N1		1.4539	1.9030	1.0198	1.0198
O2	1.4539		0.9658	1.9608	1.9608
H3	1.9030	0.9658		2.5537	2.5537
H4	1.0198	1.9608	2.5537		1.6251
H5	1.0198	1.9608	2.5537	1.6251

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.816		O2	N1	H4	103.477
O2	N1	H5	103.477		H4	N1	H5	105.646

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: TPSSh/TZVP

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	-0.335
2	O	-0.383
3	H	0.288
4	H	0.215
5	H	0.215

	x	y	z	Total
	0.133	0.643	0.000	0.657
CHELPG
AIM
ESP

	x	y	z
x	2.029	0.349	0.000
y	0.349	2.598	0.000
z	0.000	0.000	1.926

<r²>	20.920
(<r²>)^1/2	4.574

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: TPSSh/TZVP

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)