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	hartrees
Energy at 0K	-154.209994
Energy at 298.15K	-154.214933
HF Energy	-154.209994
Nuclear repulsion energy	75.011887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3861	3713	61.40
2	A	3157	3035	30.82
3	A	3136	3016	23.73
4	A	3088	2970	17.01
5	A	2986	2871	43.72
6	A	1474	1417	18.27
7	A	1453	1397	8.40
8	A	1429	1374	6.26
9	A	1367	1314	0.61
10	A	1290	1241	169.13
11	A	1228	1180	7.44
12	A	1064	1023	21.56
13	A	1007	968	3.48
14	A	942	905	9.93
15	A	579	556	16.65
16	A	407	391	10.31
17	A	366	352	125.04
18	A	175	168	2.85

Atom	x (Å)	y (Å)	z (Å)
C1	-0.095	0.503	-0.102
C2	1.223	-0.161	0.012
O3	-1.163	-0.342	0.022
H4	-0.231	1.533	0.253
H5	1.281	-1.027	-0.669
H6	2.032	0.537	-0.247
H7	1.423	-0.543	1.034
H8	-1.970	0.185	-0.005

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4802	1.3682	1.0980	2.1346	2.1319	2.1653	1.9047
C2	1.4802		2.3931	2.2462	1.1027	1.0997	1.1097	3.2119
O3	1.3682	2.3931		2.1071	2.6310	3.3249	2.7842	0.9641
H4	1.0980	2.2462	2.1071		3.1133	2.5227	2.7676	2.2156
H5	2.1346	1.1027	2.6310	3.1133		1.7855	1.7760	3.5328
H6	2.1319	1.0997	3.3249	2.5227	1.7855		1.7836	4.0248
H7	2.1653	1.1097	2.7842	2.7676	1.7760	1.7836		3.6223
H8	1.9047	3.2119	0.9641	2.2156	3.5328	4.0248	3.6223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.625	C1	C2	H6	110.582
C1	C2	H7	112.666	C1	O3	H8	108.257
C2	C1	O3	114.260	C2	C1	H4	120.482
O3	C1	H4	116.964	H5	C2	H6	108.333
H5	C2	H7	106.790	H6	C2	H7	107.658

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

using model chemistry: PBE1PBE/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	-0.064
2	C	-0.078
3	O	-0.196
4	H	0.024
5	H	0.059
6	H	0.049
7	H	0.051
8	H	0.157

	x	y	z	Total
	-0.643	1.105	0.285	1.310
CHELPG
AIM
ESP

	x	y	z
x	4.801	-0.173	0.052
y	-0.173	3.942	0.050
z	0.052	0.050	3.001

<r²>	51.267
(<r²>)^1/2	7.160

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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