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	hartrees
Energy at 0K	-154.107817
Energy at 298.15K	-154.112780
HF Energy	-154.010758
Nuclear repulsion energy	74.124635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3687	3687	18.31
2	A	3177	3177	56.77
3	A	3148	3148	9.80
4	A	3101	3101	23.42
5	A	3011	3011	35.47
6	A	1557	1557	2.96
7	A	1533	1533	8.74
8	A	1487	1487	16.24
9	A	1452	1452	4.44
10	A	1286	1286	74.49
11	A	1189	1189	62.16
12	A	1092	1092	22.56
13	A	1074	1074	39.98
14	A	937	937	15.96
15	A	597	597	18.81
16	A	412	412	18.06
17	A	372	372	186.73
18	A	172	172	4.72

Atom	x (Å)	y (Å)	z (Å)
C1	-0.075	0.524	-0.097
C2	1.235	-0.174	0.010
O3	-1.184	-0.338	0.025
H4	-0.207	1.545	0.256
H5	1.270	-1.026	-0.678
H6	2.051	0.511	-0.243
H7	1.424	-0.565	1.023
H8	-2.027	0.146	-0.040

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4887	1.4095	1.0884	2.1331	2.1310	2.1650	1.9891
C2	1.4887		2.4246	2.2574	1.0954	1.0944	1.1020	3.2787
O3	1.4095	2.4246		2.1340	2.6435	3.3546	2.8011	0.9749
H4	1.0884	2.2574	2.1340		3.1087	2.5329	2.7750	2.3150
H5	2.1331	1.0954	2.6435	3.1087		1.7776	1.7684	3.5571
H6	2.1310	1.0944	3.3546	2.5329	1.7776		1.7757	4.0992
H7	2.1650	1.1020	2.8011	2.7750	1.7684	1.7757		3.6806
H8	1.9891	3.2787	0.9749	2.3150	3.5571	4.0992	3.6806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.342	C1	C2	H6	110.238
C1	C2	H7	112.518	C1	O3	H8	111.772
C2	C1	O3	113.539	C2	C1	H4	121.537
O3	C1	H4	116.787	H5	C2	H6	108.532
H5	C2	H7	107.174	H6	C2	H7	107.896

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

using model chemistry: B2PLYP/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	0.102
2	C	-0.446
3	O	-0.605
4	H	0.116
5	H	0.163
6	H	0.141
7	H	0.150
8	H	0.380

	x	y	z	Total
	-0.477	1.534	0.204	1.619
CHELPG
AIM
ESP

	x	y	z
x	4.532	-0.007	0.026
y	-0.007	3.649	0.037
z	0.026	0.037	2.562

<r²>	52.316
(<r²>)^1/2	7.233

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

using model chemistry: B2PLYP/6-31G

States and conformations

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