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	hartrees
Energy at 0K	-153.632921
Energy at 298.15K	-153.637733
HF Energy	-153.632921
Nuclear repulsion energy	75.488963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3747	3706	69.53
2	A	3078	3044	28.47
3	A	3056	3022	1.82
4	A	2961	2929	13.48
5	A	2855	2823	53.73
6	A	1431	1416	27.04
7	A	1406	1391	4.56
8	A	1369	1354	8.53
9	A	1318	1304	2.25
10	A	1242	1228	155.49
11	A	1201	1188	3.54
12	A	1040	1028	30.11
13	A	965	954	2.54
14	A	921	911	12.44
15	A	485	479	16.86
16	A	389	385	14.49
17	A	355	351	129.08
18	A	172	170	3.44

Atom	x (Å)	y (Å)	z (Å)
C1	-0.088	0.496	-0.082
C2	1.210	-0.158	0.009
O3	-1.154	-0.339	0.018
H4	-0.236	1.542	0.204
H5	1.293	-0.981	-0.722
H6	2.020	0.557	-0.188
H7	1.401	-0.611	1.006
H8	-1.974	0.180	-0.006

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4571	1.3581	1.0941	2.1211	2.1115	2.1513	1.9140
C2	1.4571		2.3718	2.2406	1.1034	1.0977	1.1116	3.2028
O3	1.3581	2.3718		2.1014	2.6361	3.3046	2.7532	0.9707
H4	1.0941	2.2406	2.1014		3.0918	2.4924	2.8211	2.2184
H5	2.1211	1.1034	2.6361	3.0918		1.7827	1.7700	3.5404
H6	2.1115	1.0977	3.3046	2.4924	1.7827		1.7813	4.0159
H7	2.1513	1.1116	2.7532	2.8211	1.7700	1.7813		3.6118
H8	1.9140	3.2028	0.9707	2.2184	3.5404	4.0159	3.6118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.111	C1	C2	H6	110.687
C1	C2	H7	113.069	C1	O3	H8	109.417
C2	C1	O3	114.765	C2	C1	H4	122.227
O3	C1	H4	117.547	H5	C2	H6	108.173
H5	C2	H7	106.088	H6	C2	H7	107.462

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

using model chemistry: LSDA/cc-pVTZ

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	-0.102
2	C	-0.318
3	O	-0.212
4	H	0.081
5	H	0.121
6	H	0.111
7	H	0.107
8	H	0.211

	x	y	z	Total
	-0.714	1.070	0.273	1.315
CHELPG
AIM
ESP

	x	y	z
x	5.629	-0.302	0.132
y	-0.302	4.631	-0.041
z	0.132	-0.041	3.794

<r²>	51.015
(<r²>)^1/2	7.143

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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