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	hartrees
Energy at 0K	-131.656788
Energy at 298.15K
HF Energy	-131.656788
Nuclear repulsion energy	38.864573

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'	3736	3672	37.37	51.25	0.28	0.43
2	A'	3361	3303	4.69	108.44	0.11	0.19
3	A'	1643	1615	21.26	6.81	0.72	0.84
4	A'	1370	1346	24.32	3.02	0.35	0.52
5	A'	1130	1110	125.47	1.89	0.15	0.25
6	A'	866	852	13.70	14.04	0.25	0.40
7	A"	3456	3397	0.23	64.16	0.75	0.86
8	A"	1302	1279	0.01	7.15	0.75	0.86
9	A"	427	419	198.12	0.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.011	0.715	0.000
O2	-0.011	-0.745	0.000
H3	-0.961	-0.944	0.000
H4	0.565	0.949	0.815
H5	0.565	0.949	-0.815

	N1	O2	H3	H4	H5
N1		1.4601	1.9116	1.0253	1.0253
O2	1.4601		0.9703	1.9665	1.9665
H3	1.9116	0.9703		2.5644	2.5644
H4	1.0253	1.9665	2.5644		1.6308
H5	1.0253	1.9665	2.5644	1.6308

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	101.830		O2	N1	H4	103.201
O2	N1	H5	103.201		H4	N1	H5	105.362

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: B97D3/6-31+G**

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	-0.620
2	O	-0.349
3	H	0.356
4	H	0.307
5	H	0.307

	x	y	z	Total
	0.176	0.632	0.000	0.656
CHELPG
AIM
ESP

	x	y	z
x	2.247	0.224	0.000
y	0.224	2.798	0.000
z	0.000	0.000	2.154

<r²>	21.203
(<r²>)^1/2	4.605

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: B97D3/6-31+G**

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)