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	hartrees
Energy at 0K	-153.465904
Energy at 298.15K	-153.471057
HF Energy	-153.465904
Nuclear repulsion energy	75.258060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4162	3582	85.40
2	A	3269	2814	55.11
3	A	3241	2790	40.23
4	A	3231	2781	30.25
5	A	3158	2718	34.07
6	A	1590	1368	3.22
7	A	1569	1351	10.77
8	A	1560	1343	15.30
9	A	1490	1283	1.22
10	A	1396	1201	177.73
11	A	1282	1104	32.78
12	A	1146	986	11.65
13	A	1123	967	24.47
14	A	990	852	8.72
15	A	760	654	9.58
16	A	439	378	10.22
17	A	353	303	137.69
18	A	205	177	4.79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.099	0.512	-0.123
C2	1.224	-0.166	0.013
O3	-1.157	-0.337	0.030
H4	-0.222	1.502	0.315
H5	1.281	-1.021	-0.664
H6	2.034	0.525	-0.227
H7	1.379	-0.537	1.033
H8	-1.967	0.145	-0.035

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4927	1.3655	1.0897	2.1326	2.1357	2.1495	1.9057
C2	1.4927		2.3871	2.2278	1.0919	1.0911	1.0962	3.2062
O3	1.3655	2.3871		2.0831	2.6258	3.3155	2.7340	0.9449
H4	1.0897	2.2278	2.0831		3.0958	2.5176	2.6896	2.2382
H5	2.1326	1.0919	2.6258	3.0958		1.7739	1.7666	3.5081
H6	2.1357	1.0911	3.3155	2.5176	1.7739		1.7725	4.0236
H7	2.1495	1.0962	2.7340	2.6896	1.7666	1.7725		3.5774
H8	1.9057	3.2062	0.9449	2.2382	3.5081	4.0236	3.5774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.238	C1	C2	H6	110.532
C1	C2	H7	111.337	C1	O3	H8	109.807
C2	C1	O3	113.197	C2	C1	H4	118.411
O3	C1	H4	115.632	H5	C2	H6	108.691
H5	C2	H7	107.684	H6	C2	H7	108.263

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

using model chemistry: ROHF/cc-pVDZ

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	0.042
2	C	-0.036
3	O	-0.307
4	H	0.020
5	H	0.047
6	H	0.033
7	H	0.040
8	H	0.161

	x	y	z	Total
	-0.407	1.314	0.195	1.390
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>	51.125
(<r²>)^1/2	7.150

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

using model chemistry: ROHF/cc-pVDZ

States and conformations

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