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	hartrees
Energy at 0K	-153.511542
Energy at 298.15K	-153.516711
HF Energy	-153.511542
Nuclear repulsion energy	75.429860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4171	4171	78.67
2	A	3254	3254	82.13
3	A	3236	3236	6.70
4	A	3211	3211	30.15
5	A	3146	3146	32.64
6	A	1611	1611	2.01
7	A	1592	1592	7.85
8	A	1570	1570	22.05
9	A	1510	1510	2.12
10	A	1386	1386	159.18
11	A	1280	1280	41.82
12	A	1154	1154	10.01
13	A	1129	1129	38.82
14	A	984	984	7.98
15	A	764	764	9.91
16	A	446	446	11.27
17	A	350	350	151.12
18	A	211	211	6.42

Atom	x (Å)	y (Å)	z (Å)
C1	-0.097	0.510	-0.119
C2	1.224	-0.166	0.012
O3	-1.158	-0.334	0.031
H4	-0.221	1.494	0.309
H5	1.290	-1.003	-0.674
H6	2.026	0.528	-0.211
H7	1.375	-0.549	1.020
H8	-1.969	0.136	-0.050

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4901	1.3645	1.0800	2.1262	2.1247	2.1412	1.9109
C2	1.4901		2.3885	2.2211	1.0840	1.0836	1.0885	3.2087
O3	1.3645	2.3885		2.0732	2.6337	3.3075	2.7277	0.9413
H4	1.0800	2.2211	2.0732		3.0795	2.5001	2.6878	2.2430
H5	2.1262	1.0840	2.6337	3.0795		1.7609	1.7559	3.5085
H6	2.1247	1.0836	3.3075	2.5001	1.7609		1.7602	4.0177
H7	2.1412	1.0885	2.7277	2.6878	1.7559	1.7602		3.5776
H8	1.9109	3.2087	0.9413	2.2430	3.5085	4.0177	3.5776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.380	C1	C2	H6	110.289
C1	C2	H7	111.319	C1	O3	H8	110.597
C2	C1	O3	113.517	C2	C1	H4	118.713
O3	C1	H4	115.519	H5	C2	H6	108.657
H5	C2	H7	107.849	H6	C2	H7	108.257

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

using model chemistry: ROHF/TZVP

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	0.023
2	C	-0.212
3	O	-0.406
4	H	0.057
5	H	0.092
6	H	0.078
7	H	0.082
8	H	0.286

	x	y	z	Total
	-0.335	1.428	0.215	1.483
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	51.143
(<r²>)^1/2	7.151

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

using model chemistry: ROHF/TZVP

States and conformations

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