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	hartrees
Energy at 0K	-154.335769
Energy at 298.15K	-154.340742
HF Energy	-154.335769
Nuclear repulsion energy	75.069216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3839	3640	42.26
2	A	3168	3004	55.96
3	A	3153	2990	12.91
4	A	3105	2944	20.14
5	A	3011	2855	39.78
6	A	1527	1448	1.86
7	A	1501	1424	12.91
8	A	1485	1408	18.02
9	A	1421	1348	0.27
10	A	1312	1244	153.07
11	A	1244	1180	23.88
12	A	1081	1025	26.15
13	A	1042	988	7.56
14	A	951	902	8.13
15	A	614	582	17.91
16	A	413	391	13.49
17	A	365	346	142.19
18	A	183	173	3.43

Atom	x (Å)	y (Å)	z (Å)
C1	-0.094	0.506	-0.104
C2	1.224	-0.163	0.011
O3	-1.163	-0.341	0.026
H4	-0.229	1.522	0.267
H5	1.287	-1.012	-0.678
H6	2.028	0.537	-0.233
H7	1.415	-0.554	1.023
H8	-1.976	0.176	-0.031

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4819	1.3702	1.0898	2.1306	2.1257	2.1606	1.9119
C2	1.4819		2.3941	2.2391	1.0954	1.0932	1.1020	3.2177
O3	1.3702	2.3941		2.0976	2.6362	3.3199	2.7726	0.9643
H4	1.0898	2.2391	2.0976		3.1001	2.5125	2.7536	2.2248
H5	2.1306	1.0954	2.6362	3.1001		1.7741	1.7664	3.5318
H6	2.1257	1.0932	3.3199	2.5125	1.7741		1.7731	4.0247
H7	2.1606	1.1020	2.7726	2.7536	1.7664	1.7731		3.6247
H8	1.9119	3.2177	0.9643	2.2248	3.5318	4.0247	3.6247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.620	C1	C2	H6	110.360
C1	C2	H7	112.645	C1	O3	H8	108.713
C2	C1	O3	114.094	C2	C1	H4	120.302
O3	C1	H4	116.538	H5	C2	H6	108.304
H5	C2	H7	107.000	H6	C2	H7	107.740

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

using model chemistry: mPW1PW91/6-31G*

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	0.027
2	C	-0.554
3	O	-0.580
4	H	0.140
5	H	0.190
6	H	0.177
7	H	0.178
8	H	0.422

	x	y	z	Total
	-0.595	1.232	0.233	1.387
CHELPG
AIM
ESP

	x	y	z
x	4.522	-0.096	0.037
y	-0.096	3.731	0.052
z	0.037	0.052	2.774

<r²>	51.108
(<r²>)^1/2	7.149

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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