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	hartrees
Energy at 0K	-154.389398
Energy at 298.15K	-154.394366
HF Energy	-154.389398
Nuclear repulsion energy	75.167227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3913	3737	58.53
2	A	3159	3017	48.06
3	A	3139	2998	6.02
4	A	3082	2944	18.24
5	A	2993	2859	37.78
6	A	1503	1435	2.69
7	A	1476	1410	25.78
8	A	1468	1402	10.76
9	A	1409	1346	0.08
10	A	1291	1233	139.25
11	A	1236	1180	33.68
12	A	1072	1024	35.71
13	A	1034	987	5.35
14	A	945	903	7.79
15	A	561	536	18.81
16	A	418	399	11.39
17	A	364	348	142.31
18	A	186	178	4.70

Atom	x (Å)	y (Å)	z (Å)
C1	-0.092	0.503	-0.099
C2	1.225	-0.163	0.011
O3	-1.164	-0.338	0.024
H4	-0.232	1.523	0.249
H5	1.310	-0.978	-0.714
H6	2.025	0.552	-0.181
H7	1.390	-0.596	1.008
H8	-1.976	0.168	-0.024

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4800	1.3685	1.0871	2.1298	2.1197	2.1510	1.9150
C2	1.4800		2.3961	2.2413	1.0932	1.0905	1.0992	3.2186
O3	1.3685	2.3961		2.0947	2.6599	3.3183	2.7493	0.9580
H4	1.0871	2.2413	2.0947		3.0916	2.4944	2.7743	2.2259
H5	2.1298	1.0932	2.6599	3.0916		1.7708	1.7647	3.5479
H6	2.1197	1.0905	3.3183	2.4944	1.7708		1.7710	4.0230
H7	2.1510	1.0992	2.7493	2.7743	1.7647	1.7710		3.6024
H8	1.9150	3.2186	0.9580	2.2259	3.5479	4.0230	3.6024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.821	C1	C2	H6	110.176
C1	C2	H7	112.176	C1	O3	H8	109.538
C2	C1	O3	114.472	C2	C1	H4	120.865
O3	C1	H4	116.620	H5	C2	H6	108.368
H5	C2	H7	107.199	H6	C2	H7	107.956

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

using model chemistry: wB97X-D/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	-0.093
2	C	-0.333
3	O	-0.327
4	H	0.103
5	H	0.130
6	H	0.117
7	H	0.118
8	H	0.285

	x	y	z	Total
	-0.531	1.264	0.317	1.407
CHELPG
AIM
ESP

	x	y	z
x	4.948	-0.081	0.063
y	-0.081	4.288	-0.047
z	0.063	-0.047	3.662

<r²>	51.377
(<r²>)^1/2	7.168

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

using model chemistry: wB97X-D/TZVP

States and conformations

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