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	hartrees
Energy at 0K	-154.350952
Energy at 298.15K	-154.355805
HF Energy	-154.350952
Nuclear repulsion energy	74.738477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3775	3726	45.38
2	A	3075	3035	47.83
3	A	3045	3006	9.56
4	A	2979	2940	21.20
5	A	2882	2845	57.84
6	A	1459	1440	1.59
7	A	1433	1415	9.56
8	A	1412	1394	14.56
9	A	1365	1347	0.27
10	A	1242	1226	89.26
11	A	1175	1160	64.02
12	A	1037	1023	32.34
13	A	993	980	3.83
14	A	906	894	11.76
15	A	531	524	17.99
16	A	400	395	9.22
17	A	348	343	117.69
18	A	172	170	3.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.088	0.504	-0.095
C2	1.231	-0.163	0.011
O3	-1.175	-0.341	0.020
H4	-0.234	1.532	0.234
H5	1.313	-0.992	-0.705
H6	2.032	0.552	-0.198
H7	1.416	-0.589	1.014
H8	-1.984	0.183	-0.003

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4816	1.3817	1.0897	2.1380	2.1233	2.1639	1.9257
C2	1.4816		2.4130	2.2516	1.0976	1.0941	1.1052	3.2341
O3	1.3817	2.4130		2.1075	2.6725	3.3368	2.7861	0.9641
H4	1.0897	2.2516	2.1075		3.1055	2.5065	2.7977	2.2232
H5	2.1380	1.0976	2.6725	3.1055		1.7765	1.7679	3.5702
H6	2.1233	1.0941	3.3368	2.5065	1.7765		1.7748	4.0385
H7	2.1639	1.1052	2.7861	2.7977	1.7679	1.7748		3.6319
H8	1.9257	3.2341	0.9641	2.2232	3.5702	4.0385	3.6319

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.756	C1	C2	H6	110.217
C1	C2	H7	112.015	C1	O3	H8	109.732
C2	C1	O3	114.407	C2	C1	H4	120.246
O3	C1	H4	116.636	H5	C2	H6	108.522
H5	C2	H7	107.299	H6	C2	H7	107.898

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.024
2	C	-0.227
3	O	-0.478
4	H	0.134
5	H	0.124
6	H	0.124
7	H	0.119
8	H	0.226

	x	y	z	Total
	-0.458	1.130	0.313	1.258
CHELPG
AIM
ESP

	x	y	z
x	5.844	-0.130	0.082
y	-0.130	4.932	-0.157
z	0.082	-0.157	4.402

<r²>	52.057
(<r²>)^1/2	7.215

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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