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	hartrees
Energy at 0K	-154.279471
Energy at 298.15K	-154.284362
HF Energy	-154.279471
Nuclear repulsion energy	74.465045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3777	3777	26.02
2	A	3188	3188	54.38
3	A	3158	3158	10.23
4	A	3104	3104	23.87
5	A	3010	3010	36.61
6	A	1544	1544	3.60
7	A	1519	1519	11.85
8	A	1489	1489	24.65
9	A	1452	1452	0.55
10	A	1286	1286	87.03
11	A	1220	1220	74.86
12	A	1091	1091	43.96
13	A	1067	1067	14.45
14	A	951	951	11.53
15	A	536	536	21.26
16	A	408	408	16.39
17	A	363	363	199.78
18	A	156	156	5.54

Atom	x (Å)	y (Å)	z (Å)
C1	-0.079	0.517	-0.091
C2	1.232	-0.171	0.009
O3	-1.177	-0.336	0.025
H4	-0.214	1.546	0.239
H5	1.286	-1.000	-0.707
H6	2.044	0.528	-0.208
H7	1.407	-0.597	1.010
H8	-2.020	0.137	-0.044

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4840	1.3947	1.0886	2.1315	2.1268	2.1589	1.9782
C2	1.4840		2.4143	2.2560	1.0959	1.0938	1.1019	3.2671
O3	1.3947	2.4143		2.1247	2.6535	3.3431	2.7776	0.9697
H4	1.0886	2.2560	2.1247		3.1017	2.5164	2.7947	2.3081
H5	2.1315	1.0959	2.6535	3.1017		1.7771	1.7676	3.5586
H6	2.1268	1.0938	3.3431	2.5164	1.7771		1.7763	4.0865
H7	2.1589	1.1019	2.7776	2.7947	1.7676	1.7763		3.6601
H8	1.9782	3.2671	0.9697	2.3081	3.5586	4.0865	3.6601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.514	C1	C2	H6	110.264
C1	C2	H7	112.358	C1	O3	H8	112.333
C2	C1	O3	113.962	C2	C1	H4	121.795
O3	C1	H4	117.117	H5	C2	H6	108.496
H5	C2	H7	107.075	H6	C2	H7	107.991

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

using model chemistry: wB97X-D/6-31G

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	0.068
2	C	-0.503
3	O	-0.602
4	H	0.137
5	H	0.182
6	H	0.161
7	H	0.169
8	H	0.388

	x	y	z	Total
	-0.529	1.530	0.204	1.632
CHELPG
AIM
ESP

	x	y	z
x	4.472	-0.024	0.032
y	-0.024	3.657	0.028
z	0.032	0.028	2.591

<r²>	51.798
(<r²>)^1/2	7.197

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

using model chemistry: wB97X-D/6-31G

States and conformations

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