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	hartrees
Energy at 0K	-153.524419
Energy at 298.15K	-153.529321
HF Energy	-153.524419
Nuclear repulsion energy	74.025639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3505	3382	5.89
2	A	3127	3017	49.23
3	A	3109	3000	13.59
4	A	3073	2965	16.81
5	A	2974	2870	38.99
6	A	1561	1506	2.78
7	A	1536	1482	8.76
8	A	1463	1412	13.18
9	A	1445	1395	3.43
10	A	1281	1236	82.29
11	A	1182	1140	46.80
12	A	1077	1039	8.67
13	A	1048	1011	52.17
14	A	921	889	5.82
15	A	590	569	20.34
16	A	395	381	30.35
17	A	360	347	147.17
18	A	157	152	2.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.080	0.523	-0.098
C2	1.236	-0.173	0.009
O3	-1.183	-0.343	0.027
H4	-0.189	1.545	0.265
H5	1.244	-1.056	-0.640
H6	2.045	0.498	-0.297
H7	1.450	-0.520	1.035
H8	-2.023	0.181	-0.044

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4931	1.4078	1.0899	2.1312	2.1345	2.1712	1.9736
C2	1.4931		2.4251	2.2471	1.0960	1.0947	1.1036	3.2790
O3	1.4078	2.4251		2.1466	2.6162	3.3512	2.8252	0.9928
H4	1.0899	2.2471	2.1466		3.1048	2.5306	2.7463	2.3062
H5	2.1312	1.0960	2.6162	3.1048		1.7815	1.7713	3.5443
H6	2.1345	1.0947	3.3512	2.5306	1.7815		1.7787	4.0882
H7	2.1712	1.1036	2.8252	2.7463	1.7713	1.7787		3.7042
H8	1.9736	3.2790	0.9928	2.3062	3.5443	4.0882	3.7042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.845	C1	C2	H6	110.188
C1	C2	H7	112.602	C1	O3	H8	109.385
C2	C1	O3	113.406	C2	C1	H4	120.098
O3	C1	H4	117.947	H5	C2	H6	108.813
H5	C2	H7	107.266	H6	C2	H7	108.011

All results from a given calculation for CH₃CHOH (1-hydroxy-ethyl radical)

using model chemistry: B3LYP/3-21G

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	C	0.027
2	C	-0.611
3	O	-0.532
4	H	0.158
5	H	0.212
6	H	0.194
7	H	0.196
8	H	0.355

	x	y	z	Total
	-0.655	1.292	0.253	1.470
CHELPG
AIM
ESP

	x	y	z
x	4.542	-0.069	0.036
y	-0.069	3.471	0.043
z	0.036	0.043	2.363

<r²>	52.142
(<r²>)^1/2	7.221

All results from a given calculation for CH3CHOH (1-hydroxy-ethyl radical)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for CH₃CHOH (1-hydroxy-ethyl radical)