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	hartrees
Energy at 0K	-170.877445
Energy at 298.15K	-170.883988
HF Energy	-170.877445
Nuclear repulsion energy	81.557176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3690	3639	3.65
2	A	3502	3454	0.28
3	A	3410	3363	1.31
4	A	3042	3000	31.16
5	A	2950	2910	67.97
6	A	1630	1607	18.92
7	A	1460	1440	0.12
8	A	1385	1366	39.52
9	A	1352	1333	1.71
10	A	1339	1320	1.52
11	A	1138	1122	20.60
12	A	1083	1068	20.63
13	A	974	961	227.99
14	A	885	873	3.97
15	A	811	800	162.59
16	A	462	455	48.27
17	A	425	419	110.52
18	A	302	298	59.57

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	1.267	-0.731	-0.871
H5	1.348	-0.798	0.770
H6	-0.053	1.095	1.003
H7	-0.076	1.262	-0.778
H8	-1.282	-0.830	0.674

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4466	2.4589	1.0251	1.0251	2.0715	2.0775	2.7020
C2	1.4466		1.4365	2.0306	2.0469	1.1082	1.1021	1.9544
O3	2.4589	1.4365		2.6359	2.7639	2.1074	2.0138	0.9755
H4	1.0251	2.0306	2.6359		1.6447	2.9307	2.4053	2.9823
H5	1.0251	2.0469	2.7639	1.6447		2.3663	2.9438	2.6319
H6	2.0715	1.1082	2.1074	2.9307	2.3663		1.7884	2.3073
H7	2.0775	1.1021	2.0138	2.4053	2.9438	1.7884		2.8174
H8	2.7020	1.9544	0.9755	2.9823	2.6319	2.3073	2.8174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	117.043	N1	C2	H6	107.611
N1	C2	H7	108.439	C2	N1	H4	109.287
C2	N1	H5	110.653	C2	O3	H8	106.683
O3	C2	H6	111.162	O3	C2	H7	104.206
H4	N1	H5	106.677	H6	C2	H7	108.015

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBE/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	-0.497
4	H	0.247
5	H	0.234
6	H	0.109
7	H	0.136
8	H	0.286

	x	y	z	Total
	0.238	-1.252	1.238	1.777
CHELPG
AIM
ESP

	x	y	z
x	3.686	-0.119	-0.107
y	-0.119	3.411	-0.195
z	-0.107	-0.195	3.489

<r²>	50.095
(<r²>)^1/2	7.078

All results from a given calculation for NH2CH2OH (aminomethanol)

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

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)