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	hartrees
Energy at 0K	-171.113419
Energy at 298.15K	-171.119914
HF Energy	-171.113419
Nuclear repulsion energy	81.768712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3803	3691	20.54
2	A	3587	3481	4.04
3	A	3498	3395	2.12
4	A	3116	3024	24.00
5	A	3040	2950	50.72
6	A	1648	1599	26.92
7	A	1479	1435	0.29
8	A	1404	1362	32.30
9	A	1370	1330	2.14
10	A	1347	1307	5.20
11	A	1151	1117	42.19
12	A	1094	1061	29.26
13	A	977	948	226.57
14	A	904	877	2.58
15	A	780	757	146.60
16	A	470	456	44.67
17	A	390	379	81.68
18	A	266	259	72.56

Atom	x (Å)	y (Å)	z (Å)
N1	1.230	-0.161	-0.020
C2	-0.027	0.537	0.048
O3	-1.210	-0.264	-0.117
H4	1.311	-0.705	-0.875
H5	1.376	-0.783	0.772
H6	-0.067	1.083	1.003
H7	-0.076	1.260	-0.774
H8	-1.312	-0.834	0.656

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4398	2.4445	1.0168	1.0166	2.0681	2.0729	2.7154
C2	1.4398		1.4377	2.0454	2.0575	1.1009	1.0965	1.9747
O3	2.4445	1.4377		2.6690	2.7833	2.0912	2.0101	0.9655
H4	1.0168	2.0454	2.6690		1.6495	2.9363	2.4075	3.0394
H5	1.0166	2.0575	2.7833	1.6495		2.3700	2.9449	2.6914
H6	2.0681	1.1009	2.0912	2.9363	2.3700		1.7863	2.3120
H7	2.0729	1.0965	2.0101	2.4075	2.9449	1.7863		2.8211
H8	2.7154	1.9747	0.9655	3.0394	2.6914	2.3120	2.8211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.325	N1	C2	H6	108.236
N1	C2	H7	108.881	C2	N1	H4	111.577
C2	N1	H5	112.645	C2	O3	H8	108.920
O3	C2	H6	110.222	O3	C2	H7	104.159
H4	N1	H5	108.427	H6	C2	H7	108.767

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3LYP/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	-0.006
2	C	1.215
3	O	-0.395
4	H	-0.085
5	H	-0.101
6	H	-0.322
7	H	-0.369
8	H	0.063

	x	y	z	Total
	0.428	-0.955	1.242	1.624
CHELPG
AIM
ESP

	x	y	z
x	5.214	0.072	-0.067
y	0.072	4.583	-0.050
z	-0.067	-0.050	4.264

<r²>	50.515
(<r²>)^1/2	7.107

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)