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	hartrees
Energy at 0K	-151.632575
Energy at 298.15K	-151.637455
HF Energy	-151.499929
Nuclear repulsion energy	73.100824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3896	3896
2	A	3555	3555
3	A	3523	3523
4	A	3432	3432
5	A	3360	3360
6	A	1733	1733
7	A	1719	1719
8	A	1655	1655
9	A	1595	1595
10	A	1482	1482
11	A	1307	1307
12	A	1176	1176
13	A	1153	1153
14	A	1012	1012
15	A	747	747
16	A	419	419
17	A	406	406
18	A	137	137

Atom	x (Å)	y (Å)	z (Å)
C1	-0.104	0.521	-0.130
C2	1.262	-0.168	0.015
O3	-1.198	-0.361	0.027
H4	-0.207	1.526	0.326
H5	1.275	-1.116	-0.549
H6	2.058	0.486	-0.379
H7	1.503	-0.397	1.071
H8	-1.996	0.265	-0.002

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5362	1.4137	1.1082	2.1806	2.1769	2.2059	1.9136
C2	1.5362		2.4669	2.2633	1.1035	1.1035	1.1070	3.2862
O3	1.4137	2.4669		2.1517	2.6485	3.3888	2.8953	1.0147
H4	1.1082	2.2633	2.1517		3.1528	2.5908	2.6795	2.2130
H5	2.1806	1.1035	2.6485	3.1528		1.7913	1.7869	3.5919
H6	2.1769	1.1035	3.3888	2.5908	1.7913		1.7868	4.0778
H7	2.2059	1.1070	2.8953	2.6795	1.7869	1.7868		3.7190
H8	1.9136	3.2862	1.0147	2.2130	3.5919	4.0778	3.7190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.325	C1	C2	H6	110.029
C1	C2	H7	112.125	C1	O3	H8	102.764
C2	C1	O3	113.434	C2	C1	H4	116.793
O3	C1	H4	116.601	H5	C2	H6	108.512
H5	C2	H7	107.876	H6	C2	H7	107.862

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

using model chemistry: ROMP2/STO-3G

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	0.057
2	C	-0.183
3	O	-0.270
4	H	0.034
5	H	0.066
6	H	0.060
7	H	0.060
8	H	0.176

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	52.652
(<r²>)^1/2	7.256

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

using model chemistry: ROMP2/STO-3G

States and conformations

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