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	hartrees
Energy at 0K	-154.329562
Energy at 298.15K	-154.334511
HF Energy	-154.329562
Nuclear repulsion energy	74.980299

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3874	3713	42.36
2	A	3146	3015	52.87
3	A	3131	3001	13.06
4	A	3081	2953	20.93
5	A	2984	2860	42.27
6	A	1501	1439	2.57
7	A	1476	1414	16.25
8	A	1464	1403	13.82
9	A	1397	1339	0.17
10	A	1288	1234	150.20
11	A	1233	1182	21.49
12	A	1065	1021	28.28
13	A	1024	982	6.36
14	A	940	901	8.35
15	A	595	570	17.70
16	A	410	393	12.39
17	A	359	344	138.00
18	A	182	174	3.20

Atom	x (Å)	y (Å)	z (Å)
C1	-0.093	0.505	-0.101
C2	1.226	-0.163	0.011
O3	-1.167	-0.341	0.025
H4	-0.228	1.526	0.259
H5	1.289	-1.012	-0.679
H6	2.029	0.538	-0.234
H7	1.422	-0.555	1.023
H8	-1.976	0.178	-0.027

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4828	1.3724	1.0909	2.1327	2.1268	2.1638	1.9128
C2	1.4828		2.3993	2.2426	1.0962	1.0939	1.1030	3.2207
O3	1.3724	2.3993		2.1026	2.6417	3.3247	2.7826	0.9630
H4	1.0909	2.2426	2.1026		3.1028	2.5130	2.7642	2.2260
H5	2.1327	1.0962	2.6417	3.1028		1.7748	1.7669	3.5366
H6	2.1268	1.0939	3.3247	2.5130	1.7748		1.7734	4.0271
H7	2.1638	1.1030	2.7826	2.7642	1.7669	1.7734		3.6315
H8	1.9128	3.2207	0.9630	2.2260	3.5366	4.0271	3.6315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.685	C1	C2	H6	110.353
C1	C2	H7	112.787	C1	O3	H8	108.708
C2	C1	O3	114.298	C2	C1	H4	120.465
O3	C1	H4	116.740	H5	C2	H6	108.269
H5	C2	H7	106.912	H6	C2	H7	107.652

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

using model chemistry: B3PW91/6-31G**

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	0.060
2	C	-0.417
3	O	-0.492
4	H	0.099
5	H	0.148
6	H	0.134
7	H	0.135
8	H	0.333

	x	y	z	Total
	-0.601	1.191	0.231	1.354
CHELPG
AIM
ESP

	x	y	z
x	4.651	-0.111	0.041
y	-0.111	3.817	0.052
z	0.041	0.052	2.838

<r²>	51.230
(<r²>)^1/2	7.157

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

using model chemistry: B3PW91/6-31G**

States and conformations

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