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	hartrees
Energy at 0K	-131.744884
Energy at 298.15K
HF Energy	-131.744884
Nuclear repulsion energy	39.139493

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'	3803	3691	41.82	65.39	0.20	0.33
2	A'	3429	3328	2.45	125.53	0.08	0.14
3	A'	1640	1592	13.00	4.97	0.51	0.68
4	A'	1384	1343	26.00	2.71	0.21	0.35
5	A'	1139	1105	124.64	1.83	0.15	0.26
6	A'	928	901	13.13	11.23	0.24	0.39
7	A"	3511	3408	1.92	56.41	0.75	0.86
8	A"	1324	1284	0.03	2.76	0.75	0.86
9	A"	399	388	163.74	0.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.707	0.000
O2	-0.011	-0.738	0.000
H3	-0.952	-0.951	0.000
H4	0.557	0.952	0.814
H5	0.557	0.952	-0.814

	N1	O2	H3	H4	H5
N1		1.4453	1.9069	1.0220	1.0220
O2	1.4453		0.9653	1.9595	1.9595
H3	1.9069	0.9653		2.5613	2.5613
H4	1.0220	1.9595	2.5613		1.6280
H5	1.0220	1.9595	2.5613	1.6280

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.743		O2	N1	H4	103.831
O2	N1	H5	103.831		H4	N1	H5	105.581

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B3LYPultrafine/aug-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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Number	Element	Mulliken
1	N	0.212
2	O	-0.391
3	H	0.114
4	H	0.032
5	H	0.032

	x	y	z	Total
	0.122	0.574	0.000	0.587
CHELPG
AIM
ESP

	x	y	z
x	2.689	0.270	0.000
y	0.270	3.244	0.000
z	0.000	0.000	2.487

<r²>	21.045
(<r²>)^1/2	4.587

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)