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	hartrees
Energy at 0K	-153.526967
Energy at 298.15K	-153.532133
HF Energy	-153.526967
Nuclear repulsion energy	75.542653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4180	4180	84.89
2	A	3245	3245	79.23
3	A	3226	3226	6.64
4	A	3198	3198	28.45
5	A	3135	3135	34.09
6	A	1608	1608	1.94
7	A	1590	1590	7.21
8	A	1568	1568	19.82
9	A	1509	1509	1.58
10	A	1388	1388	154.83
11	A	1283	1283	42.88
12	A	1150	1150	11.56
13	A	1127	1127	33.07
14	A	984	984	7.74
15	A	759	759	10.71
16	A	446	446	10.06
17	A	348	348	130.87
18	A	213	213	5.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.098	0.509	-0.120
C2	1.223	-0.165	0.013
O3	-1.156	-0.334	0.029
H4	-0.223	1.493	0.305
H5	1.293	-0.997	-0.677
H6	2.024	0.530	-0.202
H7	1.371	-0.554	1.017
H8	-1.967	0.135	-0.030

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4893	1.3610	1.0784	2.1249	2.1236	2.1404	1.9081
C2	1.4893		2.3856	2.2195	1.0829	1.0821	1.0874	3.2047
O3	1.3610	2.3856		2.0694	2.6340	3.3036	2.7229	0.9383
H4	1.0784	2.2195	2.0694		3.0762	2.4966	2.6905	2.2349
H5	2.1249	1.0829	2.6340	3.0762		1.7586	1.7529	3.5115
H6	2.1236	1.0821	3.3036	2.4966	1.7586		1.7577	4.0141
H7	2.1404	1.0874	2.7229	2.6905	1.7529	1.7577		3.5656
H8	1.9081	3.2047	0.9383	2.2349	3.5115	4.0141	3.5656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.404	C1	C2	H6	110.346
C1	C2	H7	111.384	C1	O3	H8	110.828
C2	C1	O3	113.562	C2	C1	H4	118.753
O3	C1	H4	115.566	H5	C2	H6	108.640
H5	C2	H7	107.744	H6	C2	H7	108.226

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

using model chemistry: ROHF/cc-pVQZ

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	0.135
2	C	-0.210
3	O	-0.416
4	H	0.033
5	H	0.089
6	H	0.069
7	H	0.066
8	H	0.234

	x	y	z	Total
	-0.354	1.283	0.254	1.355
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>	51.024
(<r²>)^1/2	7.143

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

using model chemistry: ROHF/cc-pVQZ

States and conformations

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