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	hartrees
Energy at 0K	-154.416733
Energy at 298.15K	-154.421716
HF Energy	-154.416733
Nuclear repulsion energy	74.916532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3803	3675	28.47
2	A	3112	3007	71.91
3	A	3095	2991	9.03
4	A	3047	2944	25.00
5	A	2948	2849	58.75
6	A	1510	1459	1.52
7	A	1484	1434	12.76
8	A	1463	1413	13.27
9	A	1409	1362	1.02
10	A	1297	1253	138.35
11	A	1210	1170	43.18
12	A	1070	1034	30.10
13	A	1034	999	10.42
14	A	934	903	8.43
15	A	598	578	18.50
16	A	413	399	19.55
17	A	382	369	147.18
18	A	182	176	3.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.092	0.508	-0.104
C2	1.227	-0.163	0.011
O3	-1.167	-0.341	0.024
H4	-0.232	1.524	0.264
H5	1.292	-1.012	-0.677
H6	2.035	0.532	-0.228
H7	1.414	-0.558	1.023
H8	-1.983	0.169	-0.018

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4839	1.3761	1.0896	2.1339	2.1304	2.1618	1.9240
C2	1.4839		2.4006	2.2445	1.0948	1.0926	1.1025	3.2274
O3	1.3761	2.4006		2.1000	2.6436	3.3286	2.7765	0.9629
H4	1.0896	2.2445	2.1000		3.1048	2.5227	2.7601	2.2329
H5	2.1339	1.0948	2.6436	3.1048		1.7718	1.7641	3.5434
H6	2.1304	1.0926	3.3286	2.5227	1.7718		1.7719	4.0404
H7	2.1618	1.1025	2.7765	2.7601	1.7641	1.7719		3.6268
H8	1.9240	3.2274	0.9629	2.2329	3.5434	4.0404	3.6268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.788	C1	C2	H6	110.639
C1	C2	H7	112.576	C1	O3	H8	109.421
C2	C1	O3	114.100	C2	C1	H4	120.649
O3	C1	H4	116.310	H5	C2	H6	108.188
H5	C2	H7	106.806	H6	C2	H7	107.647

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

using model chemistry: B3LYP/6-311G*

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	-0.070
2	C	-0.635
3	O	-0.499
4	H	0.176
5	H	0.219
6	H	0.208
7	H	0.205
8	H	0.396

	x	y	z	Total
	-0.677	1.277	0.295	1.475
CHELPG
AIM
ESP

	x	y	z
x	4.887	-0.151	0.074
y	-0.151	4.017	0.015
z	0.074	0.015	3.158

<r²>	51.632
(<r²>)^1/2	7.186

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

using model chemistry: B3LYP/6-311G*

States and conformations

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