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	hartrees
Energy at 0K	-170.877446
Energy at 298.15K	-170.883989
HF Energy	-170.877446
Nuclear repulsion energy	81.555924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3689	3638	3.69
2	A	3502	3454	0.27
3	A	3410	3363	1.32
4	A	3042	3001	31.10
5	A	2951	2910	67.89
6	A	1630	1607	18.90
7	A	1460	1440	0.12
8	A	1384	1365	39.39
9	A	1352	1333	1.69
10	A	1339	1321	1.56
11	A	1137	1122	20.28
12	A	1083	1068	20.71
13	A	975	961	228.25
14	A	885	873	4.18
15	A	813	802	162.87
16	A	462	455	48.77
17	A	424	418	107.01
18	A	302	298	62.07

Atom	x (Å)	y (Å)	z (Å)
N1	1.241	-0.157	-0.022
C2	-0.029	0.533	0.048
O3	-1.214	-0.262	-0.116
H4	1.268	-0.730	-0.872
H5	1.347	-0.800	0.770
H6	-0.054	1.094	1.003
H7	-0.076	1.262	-0.777
H8	-1.284	-0.828	0.675

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4469	2.4589	1.0251	1.0252	2.0716	2.0775	2.7039
C2	1.4469		1.4363	2.0306	2.0469	1.1082	1.1021	1.9546
O3	2.4589	1.4363		2.6362	2.7625	2.1072	2.0140	0.9755
H4	1.0251	2.0306	2.6362		1.6445	2.9306	2.4044	2.9857
H5	1.0252	2.0469	2.7625	1.6445		2.3669	2.9438	2.6326
H6	2.0716	1.1082	2.1072	2.9306	2.3669		1.7885	2.3061
H7	2.0775	1.1021	2.0140	2.4044	2.9438	1.7885		2.8176
H8	2.7039	1.9546	0.9755	2.9857	2.6326	2.3061	2.8176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	117.036	N1	C2	H6	107.599
N1	C2	H7	108.419	C2	N1	H4	109.261
C2	N1	H5	110.628	C2	O3	H8	106.713
O3	C2	H6	111.162	O3	C2	H7	104.234
H4	N1	H5	106.658	H6	C2	H7	108.027

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBEultrafine/6-31G**

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	-0.565
2	C	0.050
3	O	-0.496
4	H	0.247
5	H	0.234
6	H	0.109
7	H	0.136
8	H	0.286

	x	y	z	Total
	0.231	-1.249	1.238	1.774
CHELPG
AIM
ESP

	x	y	z
x	3.686	-0.119	-0.108
y	-0.119	3.409	-0.195
z	-0.108	-0.195	3.489

<r²>	50.096
(<r²>)^1/2	7.078

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)