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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	-153.938977
Energy at 298.15K
HF Energy	-153.457181
Nuclear repulsion energy	74.418414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3868	3701	17.72
2	A'	3186	3048	7.53
3	A'	3024	2893	63.58
4	A'	1530	1464	1.53
5	A'	1504	1439	6.87
6	A'	1452	1389	5.34
7	A'	1265	1210	68.97
8	A'	1107	1059	93.64
9	A'	1029	985	7.94
10	A'	601	575	13.22
11	A'	372	356	30.41
12	A"	3299	3156	9.89
13	A"	3064	2931	65.17
14	A"	1300	1244	0.50
15	A"	1181	1129	1.54
16	A"	809	774	0.73
17	A"	279	267	118.18
18	A"	70i	67i	0.03

Atom	x (Å)	y (Å)	z (Å)
O1	-1.118	-0.352	0.000
C2	0.000	0.538	0.000
C3	1.264	-0.272	0.000
H4	-1.908	0.201	0.000
H5	-0.019	1.194	0.895
H6	-0.019	1.194	-0.895
H7	1.653	-0.682	-0.938
H8	1.653	-0.682	0.938

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4291	2.3831	0.9651	2.0978	2.0978	2.9440	2.9440
C2	1.4291		1.5012	1.9376	1.1099	1.1099	2.2583	2.2583
C3	2.3831	1.5012		3.2072	2.1439	2.1439	1.0952	1.0952
H4	0.9651	1.9376	3.2072		2.3143	2.3143	3.7872	3.7872
H5	2.0978	1.1099	2.1439	2.3143		1.7898	3.1103	2.5129
H6	2.0978	1.1099	2.1439	2.3143	1.7898		2.5129	3.1103
H7	2.9440	2.2583	1.0952	3.7872	3.1103	2.5129		1.8768
H8	2.9440	2.2583	1.0952	3.7872	2.5129	3.1103	1.8768

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

using model chemistry: CCD/cc-pVDZ

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	108.803	O1	C2	H5	110.801
O1	C2	H6	110.801	C2	O1	H4	106.439
C2	C3	H7	120.054	C2	C3	H8	120.054
C3	C2	H5	109.470	C3	C2	H6	109.470
H5	C2	H6	107.474	H7	C3	H8	117.919

	hartrees
Energy at 0K	-153.940339
Energy at 298.15K	-153.945018
HF Energy	-153.458377
Nuclear repulsion energy	74.696727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3890	3721	25.20
2	A	3314	3171	5.14
3	A	3194	3056	5.52
4	A	3013	2883	68.93
5	A	2961	2833	68.40
6	A	1515	1449	6.28
7	A	1498	1433	6.18
8	A	1436	1374	1.06
9	A	1301	1245	77.90
10	A	1246	1192	7.37
11	A	1159	1109	37.62
12	A	1086	1039	19.80
13	A	987	944	9.37
14	A	882	844	14.10
15	A	449	430	16.46
16	A	393	376	34.47
17	A	284	271	97.18
18	A	155	148	17.18

Atom	x (Å)	y (Å)	z (Å)
O1	-1.104	-0.387	-0.058
C2	-0.020	0.527	0.036
C3	1.253	-0.253	-0.020
H4	-1.903	0.125	0.105
H5	-0.075	1.108	0.987
H6	-0.045	1.274	-0.789
H7	2.203	0.253	-0.216
H8	1.252	-1.305	0.284

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4213	2.3611	0.9630	2.0948	2.1014	3.3724	2.5515
C2	1.4213		1.4945	1.9261	1.1161	1.1124	2.2544	2.2445
C3	2.3611	1.4945		3.1807	2.1516	2.1466	1.0947	1.0945
H4	0.9630	1.9261	3.1807		2.2551	2.3600	4.1204	3.4685
H5	2.0948	1.1161	2.1516	2.2551		1.7840	2.7143	2.8420
H6	2.1014	1.1124	2.1466	2.3600	1.7840		2.5343	3.0794
H7	3.3724	2.2544	1.0947	4.1204	2.7143	2.5343		1.8928
H8	2.5515	2.2445	1.0945	3.4685	2.8420	3.0794	1.8928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.122	O1	C2	H5	110.718
O1	C2	H6	111.487	C2	O1	H4	106.177
C2	C3	H7	120.292	C2	C3	H8	119.404
C3	C2	H5	110.169	C3	C2	H6	109.993
H5	C2	H6	106.360	H7	C3	H8	119.679

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

using model chemistry: CCD/cc-pVDZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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