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	hartrees
Energy at 0K	-130.975488
Energy at 298.15K
HF Energy	-130.975488
Nuclear repulsion energy	37.619320

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'	3444	3337	3.56	79.24	0.35	0.52
2	A'	3240	3139	5.50	124.37	0.13	0.23
3	A'	1689	1637	13.40	18.83	0.50	0.67
4	A'	1384	1341	15.45	11.35	0.73	0.84
5	A'	1123	1088	130.58	3.17	0.65	0.79
6	A'	903	874	7.28	15.09	0.14	0.24
7	A"	3339	3235	12.67	68.53	0.75	0.86
8	A"	1252	1213	0.02	14.88	0.75	0.86
9	A"	380	368	216.87	10.96	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.012	0.750	0.000
O2	-0.012	-0.777	0.000
H3	-0.999	-0.936	0.000
H4	0.586	0.950	0.826
H5	0.586	0.950	-0.826

	N1	O2	H3	H4	H5
N1		1.5268	1.9543	1.0388	1.0388
O2	1.5268		1.0001	2.0050	2.0050
H3	1.9543	1.0001		2.5983	2.5983
H4	1.0388	2.0050	2.5983		1.6522
H5	1.0388	2.0050	2.5983	1.6522

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	99.190		O2	N1	H4	101.079
O2	N1	H5	101.079		H4	N1	H5	105.360

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: TPSSh/3-21G

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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Number	Element	Mulliken
1	N	-0.479
2	O	-0.464
3	H	0.359
4	H	0.292
5	H	0.292

	x	y	z	Total
	0.259	0.614	0.000	0.666
CHELPG
AIM
ESP

	x	y	z
x	1.532	0.593	0.000
y	0.593	2.163	0.000
z	0.000	0.000	1.361

<r²>	21.563
(<r²>)^1/2	4.644

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: TPSSh/3-21G

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)