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	hartrees
Energy at 0K	-171.024901
Energy at 298.15K	-171.031517
HF Energy	-171.024901
Nuclear repulsion energy	82.162563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3795	3663	15.06
2	A	3569	3444	0.82
3	A	3485	3363	0.50
4	A	3107	2998	33.08
5	A	3015	2910	71.05
6	A	1654	1596	18.58
7	A	1478	1427	0.11
8	A	1417	1367	46.52
9	A	1380	1332	2.30
10	A	1367	1319	1.60
11	A	1169	1128	32.27
12	A	1119	1080	24.73
13	A	1034	998	224.72
14	A	910	878	3.39
15	A	851	821	136.10
16	A	479	462	48.43
17	A	419	405	98.07
18	A	307	297	59.18

Atom	x (Å)	y (Å)	z (Å)
N1	1.229	-0.155	-0.021
C2	-0.032	0.532	0.048
O3	-1.199	-0.263	-0.115
H4	1.260	-0.726	-0.867
H5	1.332	-0.800	0.763
H6	-0.062	1.093	1.002
H7	-0.080	1.265	-0.773
H8	-1.265	-0.840	0.659

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4377	2.4319	1.0216	1.0215	2.0660	2.0713	2.6742
C2	1.4377		1.4210	2.0230	2.0368	1.1068	1.1007	1.9430
O3	2.4319	1.4210		2.6133	2.7320	2.0920	2.0046	0.9674
H4	1.0216	2.0230	2.6133		1.6341	2.9242	2.4016	2.9530
H5	1.0215	2.0368	2.7320	1.6341		2.3629	2.9351	2.5990
H6	2.0660	1.1068	2.0920	2.9242	2.3629		1.7827	2.3021
H7	2.0713	1.1007	2.0046	2.4016	2.9351	1.7827		2.8076
H8	2.6742	1.9430	0.9674	2.9530	2.5990	2.3021	2.8076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.579	N1	C2	H6	107.864
N1	C2	H7	108.641	C2	N1	H4	109.522
C2	N1	H5	110.698	C2	O3	H8	107.357
O3	C2	H6	111.099	O3	C2	H7	104.583
H4	N1	H5	106.222	H6	C2	H7	107.710

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3PW91/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	-0.218
2	C	0.118
3	O	-0.288
4	H	0.090
5	H	0.080
6	H	0.034
7	H	0.054
8	H	0.130

	x	y	z	Total
	0.269	-1.176	1.203	1.704
CHELPG
AIM
ESP

	x	y	z
x	3.539	-0.111	-0.100
y	-0.111	3.412	-0.166
z	-0.100	-0.166	3.387

<r²>	49.341
(<r²>)^1/2	7.024

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)