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	hartrees
Energy at 0K	-154.311774
Energy at 298.15K	-154.316723
HF Energy	-154.311774
Nuclear repulsion energy	75.130853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3860	3710	63.22
2	A	3162	3039	30.55
3	A	3139	3017	27.29
4	A	3093	2973	18.17
5	A	2987	2871	45.88
6	A	1475	1418	18.69
7	A	1454	1398	9.32
8	A	1431	1375	5.62
9	A	1369	1316	0.25
10	A	1289	1239	169.58
11	A	1228	1180	5.10
12	A	1062	1020	23.10
13	A	1007	968	3.74
14	A	942	905	9.80
15	A	580	557	15.98
16	A	405	389	12.42
17	A	376	362	123.60
18	A	175	168	2.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.094	0.502	-0.103
C2	1.221	-0.161	0.012
O3	-1.162	-0.342	0.021
H4	-0.233	1.530	0.253
H5	1.281	-1.026	-0.665
H6	2.028	0.536	-0.248
H7	1.422	-0.540	1.033
H8	-1.969	0.183	0.002

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4779	1.3662	1.0956	2.1313	2.1272	2.1624	1.9041
C2	1.4779		2.3900	2.2427	1.1000	1.0971	1.1074	3.2085
O3	1.3662	2.3900		2.1018	2.6277	3.3189	2.7820	0.9628
H4	1.0956	2.2427	2.1018		3.1084	2.5191	2.7626	2.2108
H5	2.1313	1.1000	2.6277	3.1084		1.7812	1.7717	3.5307
H6	2.1272	1.0971	3.3189	2.5191	1.7812		1.7790	4.0196
H7	2.1624	1.1074	2.7820	2.7626	1.7717	1.7790		3.6170
H8	1.9041	3.2085	0.9628	2.2108	3.5307	4.0196	3.6170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.679	C1	C2	H6	110.536
C1	C2	H7	112.746	C1	O3	H8	108.433
C2	C1	O3	114.292	C2	C1	H4	120.533
O3	C1	H4	116.812	H5	C2	H6	108.326
H5	C2	H7	106.753	H6	C2	H7	107.610

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

using model chemistry: B1B95/cc-pVDZ

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	-0.061
2	C	-0.039
3	O	-0.191
4	H	0.012
5	H	0.047
6	H	0.037
7	H	0.039
8	H	0.157

	x	y	z	Total
	-0.664	1.082	0.304	1.305
CHELPG
AIM
ESP

	x	y	z
x	4.820	-0.175	0.051
y	-0.175	3.936	0.050
z	0.051	0.050	2.995

<r²>	51.122
(<r²>)^1/2	7.150

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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