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	hartrees
Energy at 0K	-154.258154
Energy at 298.15K
HF Energy	-154.080909
Nuclear repulsion energy	75.089699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3872	3872	49.59
2	A	3165	3165	48.32
3	A	3150	3150	6.79
4	A	3103	3103	17.22
5	A	3013	3013	32.44
6	A	1515	1515	1.38
7	A	1490	1490	7.89
8	A	1469	1469	17.36
9	A	1409	1409	0.39
10	A	1294	1294	121.73
11	A	1230	1230	32.08
12	A	1071	1071	25.83
13	A	1040	1040	9.31
14	A	942	942	8.31
15	A	624	624	16.08
16	A	409	409	10.70
17	A	371	371	119.13
18	A	180	180	2.66

Atom	x (Å)	y (Å)	z (Å)
C1	-0.094	0.508	-0.107
C2	1.225	-0.163	0.012
O3	-1.163	-0.342	0.022
H4	-0.231	1.519	0.267
H5	1.285	-1.015	-0.669
H6	2.028	0.532	-0.234
H7	1.411	-0.547	1.025
H8	-1.971	0.176	-0.003

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4846	1.3718	1.0869	2.1299	2.1259	2.1588	1.9085
C2	1.4846		2.3947	2.2393	1.0927	1.0906	1.0990	3.2135
O3	1.3718	2.3947		2.0960	2.6314	3.3187	2.7706	0.9596
H4	1.0869	2.2393	2.0960		3.0977	2.5152	2.7461	2.2145
H5	2.1299	1.0927	2.6314	3.0977		1.7710	1.7627	3.5300
H6	2.1259	1.0906	3.3187	2.5152	1.7710		1.7692	4.0211
H7	2.1588	1.0990	2.7706	2.7461	1.7627	1.7692		3.6079
H8	1.9085	3.2135	0.9596	2.2145	3.5300	4.0211	3.6079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.547	C1	C2	H6	110.354
C1	C2	H7	112.496	C1	O3	H8	108.599
C2	C1	O3	113.880	C2	C1	H4	120.319
O3	C1	H4	116.492	H5	C2	H6	108.419
H5	C2	H7	107.073	H6	C2	H7	107.794

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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: B2PLYP=FULLultrafine/6-31G(2df,p)

States and conformations

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