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State	Conformation	minimum conformation	conformer description	state description
1	1	no	CS	²A^'
1	2	yes	C1	²A

	hartrees
Energy at 0K	-154.016050
Energy at 298.15K
HF Energy	-153.463277
Nuclear repulsion energy	74.869295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3913	3706	20.25
2	A'	3220	3050	5.21
3	A'	3057	2896	48.55
4	A'	1562	1479	0.97
5	A'	1515	1435	6.11
6	A'	1469	1392	6.55
7	A'	1271	1204	61.79
8	A'	1102	1044	96.17
9	A'	1032	977	6.74
10	A'	602	570	13.71
11	A'	375	356	31.82
12	A"	3332	3157	6.27
13	A"	3097	2934	45.86
14	A"	1318	1249	0.49
15	A"	1198	1135	1.18
16	A"	816	773	0.34
17	A"	270	256	118.04
18	A"	87i	82i	0.08

Atom	x (Å)	y (Å)	z (Å)
O1	-1.111	-0.356	0.000
C2	0.000	0.537	0.000
C3	1.258	-0.267	0.000
H4	-1.906	0.179	0.000
H5	-0.028	1.184	0.885
H6	-0.028	1.184	-0.885
H7	1.651	-0.660	-0.927
H8	1.651	-0.660	0.927

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4258	2.3708	0.9576	2.0808	2.0808	2.9296	2.9296
C2	1.4258		1.4930	1.9390	1.0968	1.0968	2.2404	2.2404
C3	2.3708	1.4930		3.1947	2.1311	2.1311	1.0810	1.0810
H4	0.9576	1.9390	3.1947		2.3067	2.3067	3.7701	3.7701
H5	2.0808	1.0968	2.1311	2.3067		1.7710	3.0829	2.4941
H6	2.0808	1.0968	2.1311	2.3067	1.7710		2.4941	3.0829
H7	2.9296	2.2404	1.0810	3.7701	3.0829	2.4941		1.8540
H8	2.9296	2.2404	1.0810	3.7701	2.4941	3.0829	1.8540

All results from a given calculation for CH₂CH₂OH (2-hydroxy ethyl radical)

using model chemistry: CCD/6-31G(2df,p)

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.611	O1	C2	H5	110.474
O1	C2	H6	110.474	C2	O1	H4	107.247
C2	C3	H7	120.163	C2	C3	H8	120.163
C3	C2	H5	109.804	C3	C2	H6	109.804
H5	C2	H6	107.669	H7	C3	H8	118.077

	hartrees
Energy at 0K	-154.017392
Energy at 298.15K
HF Energy	-153.464389
Nuclear repulsion energy	75.161768

Atom	x (Å)	y (Å)	z (Å)
O1	-1.098	-0.385	-0.057
C2	-0.017	0.527	0.035
C3	1.246	-0.253	-0.019
H4	-1.896	0.116	0.103
H5	-0.077	1.101	0.975
H6	-0.046	1.261	-0.782
H7	2.184	0.245	-0.217
H8	1.244	-1.290	0.281

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4165	2.3476	0.9560	2.0773	2.0834	3.3448	2.5335
C2	1.4165		1.4856	1.9244	1.1029	1.0991	2.2332	2.2256
C3	2.3476	1.4856		3.1660	2.1378	2.1317	1.0797	1.0795
H4	0.9560	1.9244	3.1660		2.2453	2.3490	4.0942	3.4455
H5	2.0773	1.1029	2.1378	2.2453		1.7646	2.6948	2.8187
H6	2.0834	1.0991	2.1317	2.3490	1.7646		2.5147	3.0501
H7	3.3448	2.2332	1.0797	4.0942	2.6948	2.5147		1.8668
H8	2.5335	2.2256	1.0795	3.4455	2.8187	3.0501	1.8668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	107.958	O1	C2	H5	110.460
O1	C2	H6	111.199	C2	O1	H4	106.802
C2	C3	H7	120.212	C2	C3	H8	119.536
C3	C2	H5	110.492	C3	C2	H6	110.228
H5	C2	H6	106.524	H7	C3	H8	119.661

All results from a given calculation for CH2CH2OH (2-hydroxy ethyl radical)

using model chemistry: CCD/6-31G(2df,p)

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

All results from a given calculation for CH₂CH₂OH (2-hydroxy ethyl radical)