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	hartrees
Energy at 0K	-171.113419
Energy at 298.15K	-171.119912
HF Energy	-171.113419
Nuclear repulsion energy	81.768737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3802	3690	20.56
2	A	3588	3481	4.04
3	A	3499	3395	2.09
4	A	3115	3023	24.01
5	A	3039	2949	50.65
6	A	1648	1599	26.93
7	A	1479	1435	0.30
8	A	1404	1362	32.41
9	A	1370	1330	2.16
10	A	1348	1308	5.23
11	A	1152	1118	42.06
12	A	1094	1061	29.43
13	A	977	948	226.53
14	A	903	877	2.50
15	A	780	757	146.23
16	A	469	455	45.04
17	A	388	377	80.92
18	A	267	259	73.08

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	1.310	-0.706	-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	0.655

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4398	2.4445	1.0168	1.0166	2.0681	2.0730	2.7154
C2	1.4398		1.4377	2.0453	2.0574	1.1009	1.0965	1.9747
O3	2.4445	1.4377		2.6687	2.7831	2.0912	2.0101	0.9655
H4	1.0168	2.0453	2.6687		1.6495	2.9363	2.4076	3.0390
H5	1.0166	2.0574	2.7831	1.6495		2.3699	2.9449	2.6911
H6	2.0681	1.1009	2.0912	2.9363	2.3699		1.7863	2.3121
H7	2.0730	1.0965	2.0101	2.4076	2.9449	1.7863		2.8212
H8	2.7154	1.9747	0.9655	3.0390	2.6911	2.3121	2.8212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.323	N1	C2	H6	108.234
N1	C2	H7	108.884	C2	N1	H4	111.568
C2	N1	H5	112.633	C2	O3	H8	108.925
O3	C2	H6	110.223	O3	C2	H7	104.161
H4	N1	H5	108.420	H6	C2	H7	108.767

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: B3LYPultrafine/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
	0.427	-0.955	1.242	1.624
CHELPG
AIM
ESP

	x	y	z
x	5.213	0.070	-0.068
y	0.070	4.583	-0.050
z	-0.068	-0.050	4.265

<r²>	50.514
(<r²>)^1/2	7.107

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)