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	hartrees
Energy at 0K	-154.108374
Energy at 298.15K	-154.113381
HF Energy	-153.518700
Nuclear repulsion energy	75.158848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3925	3665	60.18
2	A	3179	2968	41.15
3	A	3151	2942	7.70
4	A	3104	2898	16.99
5	A	3024	2823	28.96
6	A	1518	1417	3.52
7	A	1494	1395	13.97
8	A	1485	1387	12.48
9	A	1414	1320	0.27
10	A	1314	1226	141.87
11	A	1236	1155	29.95
12	A	1082	1011	26.02
13	A	1045	976	5.54
14	A	948	885	9.52
15	A	619	578	15.60
16	A	414	387	9.05
17	A	360	336	120.54
18	A	187	175	4.18

Atom	x (Å)	y (Å)	z (Å)
C1	-0.094	0.508	-0.105
C2	1.226	-0.164	0.012
O3	-1.163	-0.341	0.022
H4	-0.232	1.519	0.260
H5	1.289	-1.002	-0.682
H6	2.028	0.535	-0.214
H7	1.394	-0.560	1.020
H8	-1.969	0.173	-0.002

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4857	1.3709	1.0835	2.1274	2.1252	2.1496	1.9074
C2	1.4857		2.3949	2.2401	1.0903	1.0885	1.0957	3.2123
O3	1.3709	2.3949		2.0936	2.6348	3.3174	2.7532	0.9564
H4	1.0835	2.2401	2.0936		3.0911	2.5100	2.7462	2.2131
H5	2.1274	1.0903	2.6348	3.0911		1.7688	1.7623	3.5293
H6	2.1252	1.0885	3.3174	2.5100	1.7688		1.7682	4.0190
H7	2.1496	1.0957	2.7532	2.7462	1.7623	1.7682		3.5900
H8	1.9074	3.2123	0.9564	2.2131	3.5293	4.0190	3.5900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.413	C1	C2	H6	110.340
C1	C2	H7	111.866	C1	O3	H8	108.774
C2	C1	O3	113.873	C2	C1	H4	120.561
O3	C1	H4	116.594	H5	C2	H6	108.557
H5	C2	H7	107.448	H6	C2	H7	108.099

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

using model chemistry: CCD/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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All results from a given calculation for CH3CHOH (1-hydroxy-ethyl radical)

using model chemistry: CCD/cc-pVTZ

States and conformations

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