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	hartrees
Energy at 0K	-154.256222
Energy at 298.15K	-154.261085
HF Energy	-154.256222
Nuclear repulsion energy	74.707225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3731	3686	45.93
2	A	3070	3033	42.07
3	A	3046	3009	5.12
4	A	2975	2939	17.21
5	A	2874	2839	54.29
6	A	1436	1418	1.69
7	A	1412	1395	18.31
8	A	1400	1383	7.82
9	A	1342	1326	0.49
10	A	1233	1218	108.77
11	A	1181	1167	48.01
12	A	1032	1020	27.17
13	A	980	968	3.41
14	A	907	896	12.18
15	A	528	522	18.74
16	A	397	392	10.64
17	A	363	359	118.10
18	A	179	177	3.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.092	0.508	-0.101
C2	1.230	-0.166	0.009
O3	-1.169	-0.340	0.029
H4	-0.222	1.534	0.265
H5	1.285	-1.027	-0.673
H6	2.035	0.534	-0.247
H7	1.419	-0.544	1.032
H8	-1.990	0.167	-0.054

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4880	1.3773	1.0966	2.1399	2.1321	2.1620	1.9287
C2	1.4880		2.4057	2.2495	1.0996	1.0970	1.1065	3.2374
O3	1.3773	2.4057		2.1130	2.6436	3.3328	2.7838	0.9678
H4	1.0966	2.2495	2.1130		3.1153	2.5207	2.7559	2.2576
H5	2.1399	1.0996	2.6436	3.1153		1.7829	1.7768	3.5401
H6	2.1321	1.0970	3.3328	2.5207	1.7829		1.7820	4.0460
H7	2.1620	1.1065	2.7838	2.7559	1.7768	1.7820		3.6478
H8	1.9287	3.2374	0.9678	2.2576	3.5401	4.0460	3.6478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.689	C1	C2	H6	110.222
C1	C2	H7	112.048	C1	O3	H8	109.419
C2	C1	O3	114.140	C2	C1	H4	120.248
O3	C1	H4	116.866	H5	C2	H6	108.516
H5	C2	H7	107.297	H6	C2	H7	107.936

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

using model chemistry: PBEPBE/Def2TZVPP

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	-0.062
2	C	-0.217
3	O	-0.250
4	H	0.074
5	H	0.091
6	H	0.081
7	H	0.079
8	H	0.204

	x	y	z	Total
	-0.574	1.074	0.323	1.260
CHELPG
AIM
ESP

	x	y	z
x	5.702	-0.207	0.108
y	-0.207	4.729	-0.072
z	0.108	-0.072	4.013

<r²>	51.996
(<r²>)^1/2	7.211

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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