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	hartrees
Energy at 0K	-131.689088
Energy at 298.15K
HF Energy	-131.689088
Nuclear repulsion energy	39.533362

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'	3866	3704	44.76	63.40	0.20	0.33
2	A'	3477	3330	2.42	122.45	0.08	0.14
3	A'	1654	1585	12.90	4.79	0.51	0.67
4	A'	1400	1341	26.65	2.66	0.22	0.37
5	A'	1149	1101	127.34	2.35	0.17	0.29
6	A'	974	933	14.44	9.04	0.24	0.39
7	A"	3562	3412	2.16	54.07	0.75	0.86
8	A"	1343	1286	0.08	2.63	0.75	0.86
9	A"	412	394	165.41	0.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.697	0.000
O2	-0.011	-0.728	0.000
H3	-0.947	-0.944	0.000
H4	0.553	0.946	0.810
H5	0.553	0.946	-0.810

	N1	O2	H3	H4	H5
N1		1.4252	1.8887	1.0184	1.0184
O2	1.4252		0.9606	1.9441	1.9441
H3	1.8887	0.9606		2.5454	2.5454
H4	1.0184	1.9441	2.5454		1.6207
H5	1.0184	1.9441	2.5454	1.6207

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.943		O2	N1	H4	104.183
O2	N1	H5	104.183		H4	N1	H5	105.446

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B1B95/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	0.169
2	O	-0.425
3	H	0.135
4	H	0.061
5	H	0.061

	x	y	z	Total
	0.109	0.549	0.000	0.560
CHELPG
AIM
ESP

	x	y	z
x	2.606	0.264	0.000
y	0.264	3.118	0.000
z	0.000	0.000	2.417

<r²>	20.663
(<r²>)^1/2	4.546

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)