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	hartrees
Energy at 0K	-154.451527
Energy at 298.15K	-154.456452
HF Energy	-154.451527
Nuclear repulsion energy	74.866404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3796	3664	48.69
2	A	3122	3013	45.92
3	A	3097	2989	7.49
4	A	3042	2936	18.23
5	A	2947	2845	50.78
6	A	1497	1444	1.32
7	A	1474	1422	7.81
8	A	1442	1392	17.25
9	A	1394	1346	0.91
10	A	1266	1222	100.42
11	A	1195	1154	57.69
12	A	1053	1016	32.86
13	A	1019	984	6.28
14	A	922	890	12.11
15	A	571	551	18.31
16	A	401	387	9.03
17	A	353	341	115.27
18	A	180	174	3.85

Atom	x (Å)	y (Å)	z (Å)
C1	-0.088	0.507	-0.101
C2	1.229	-0.165	0.012
O3	-1.170	-0.341	0.020
H4	-0.235	1.526	0.249
H5	1.302	-0.997	-0.693
H6	2.030	0.544	-0.206
H7	1.405	-0.576	1.018
H8	-1.983	0.176	0.002

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4828	1.3800	1.0870	2.1325	2.1211	2.1575	1.9265
C2	1.4828		2.4052	2.2485	1.0937	1.0912	1.1010	3.2301
O3	1.3800	2.4052		2.1010	2.6551	3.3276	2.7718	0.9639
H4	1.0870	2.2485	2.1010		3.1009	2.5098	2.7747	2.2234
H5	2.1325	1.0937	2.6551	3.1009		1.7727	1.7657	3.5569
H6	2.1211	1.0912	3.3276	2.5098	1.7727		1.7718	4.0354
H7	2.1575	1.1010	2.7718	2.7747	1.7657	1.7718		3.6169
H8	1.9265	3.2301	0.9639	2.2234	3.5569	4.0354	3.6169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.816	C1	C2	H6	110.056
C1	C2	H7	112.396	C1	O3	H8	109.272
C2	C1	O3	114.268	C2	C1	H4	121.318
O3	C1	H4	116.280	H5	C2	H6	108.458
H5	C2	H7	107.122	H6	C2	H7	107.845

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

using model chemistry: TPSSh/aug-cc-pVTZ

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	-0.234
2	C	-0.141
3	O	-0.347
4	H	0.209
5	H	0.130
6	H	0.119
7	H	0.121
8	H	0.144

	x	y	z	Total
	-0.445	1.133	0.337	1.263
CHELPG
AIM
ESP

	x	y	z
x	5.835	-0.133	0.074
y	-0.133	4.974	-0.161
z	0.074	-0.161	4.457

<r²>	51.811
(<r²>)^1/2	7.198

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

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

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