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	hartrees
Energy at 0K	-154.229220
Energy at 298.15K	-154.234174
HF Energy	-154.229220
Nuclear repulsion energy	75.068528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3900	3724	63.16
2	A	3168	3025	48.40
3	A	3149	3007	4.27
4	A	3093	2953	14.96
5	A	2996	2860	40.57
6	A	1492	1424	2.59
7	A	1470	1403	22.55
8	A	1457	1391	18.76
9	A	1391	1328	0.08
10	A	1279	1222	153.95
11	A	1229	1174	26.49
12	A	1065	1017	29.20
13	A	1020	974	4.90
14	A	942	900	9.62
15	A	587	561	20.40
16	A	414	395	11.90
17	A	360	344	150.53
18	A	184	176	3.97

Atom	x (Å)	y (Å)	z (Å)
C1	-0.091	0.506	-0.100
C2	1.224	-0.164	0.010
O3	-1.164	-0.339	0.025
H4	-0.233	1.527	0.255
H5	1.291	-1.004	-0.690
H6	2.030	0.540	-0.218
H7	1.406	-0.568	1.020
H8	-1.982	0.163	-0.028

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4800	1.3711	1.0896	2.1305	2.1245	2.1566	1.9231
C2	1.4800		2.3940	2.2447	1.0958	1.0935	1.1027	3.2229
O3	1.3711	2.3940		2.0979	2.6413	3.3208	2.7655	0.9618
H4	1.0896	2.2447	2.0979		3.1013	2.5132	2.7678	2.2361
H5	2.1305	1.0958	2.6413	3.1013		1.7749	1.7678	3.5373
H6	2.1245	1.0935	3.3208	2.5132	1.7749		1.7744	4.0339
H7	2.1566	1.1027	2.7655	2.7678	1.7678	1.7744		3.6215
H8	1.9231	3.2229	0.9618	2.2361	3.5373	4.0339	3.6215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.723	C1	C2	H6	110.377
C1	C2	H7	112.414	C1	O3	H8	109.792
C2	C1	O3	114.155	C2	C1	H4	120.992
O3	C1	H4	116.520	H5	C2	H6	108.326
H5	C2	H7	107.049	H6	C2	H7	107.787

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.033
2	C	-0.531
3	O	-0.458
4	H	0.132
5	H	0.184
6	H	0.171
7	H	0.174
8	H	0.362

	x	y	z	Total
	-0.470	1.295	0.325	1.415
CHELPG
AIM
ESP

	x	y	z
x	4.986	-0.061	0.084
y	-0.061	4.358	-0.153
z	0.084	-0.153	3.842

<r²>	51.555
(<r²>)^1/2	7.180

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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