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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	-154.021101
Energy at 298.15K
HF Energy	-153.489275
Nuclear repulsion energy	74.855411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3896	3696	21.44
2	A'	3215	3050	7.90
3	A'	3050	2893	59.73
4	A'	1546	1466	0.56
5	A'	1519	1441	5.32
6	A'	1465	1389	3.19
7	A'	1269	1204	57.83
8	A'	1092	1036	87.25
9	A'	1031	978	24.27
10	A'	640	607	17.80
11	A'	384	364	32.31
12	A"	3331	3160	9.21
13	A"	3097	2938	52.98
14	A"	1322	1254	0.39
15	A"	1199	1137	1.23
16	A"	826	783	0.73
17	A"	264	250	124.03
18	A"	54i	51i	0.89

Atom	x (Å)	y (Å)	z (Å)
O1	-1.108	-0.365	0.000
C2	0.000	0.540	0.000
C3	1.259	-0.255	0.000
H4	-1.897	0.181	0.000
H5	-0.027	1.184	0.889
H6	-0.027	1.184	-0.889
H7	1.633	-0.669	-0.927
H8	1.633	-0.669	0.927

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4313	2.3697	0.9597	2.0879	2.0879	2.9094	2.9094
C2	1.4313		1.4893	1.9312	1.0976	1.0976	2.2332	2.2332
C3	2.3697	1.4893		3.1863	2.1249	2.1249	1.0819	1.0819
H4	0.9597	1.9312	3.1863		2.3010	2.3010	3.7474	3.7474
H5	2.0879	1.0976	2.1249	2.3010		1.7775	3.0797	2.4875
H6	2.0879	1.0976	2.1249	2.3010	1.7775		2.4875	3.0797
H7	2.9094	2.2332	1.0819	3.7474	3.0797	2.4875		1.8548
H8	2.9094	2.2332	1.0819	3.7474	2.4875	3.0797	1.8548

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

using model chemistry: MP2=FULL/6-311G**

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	108.445	O1	C2	H5	110.610
O1	C2	H6	110.610	C2	O1	H4	106.057
C2	C3	H7	119.742	C2	C3	H8	119.742
C3	C2	H5	109.518	C3	C2	H6	109.518
H5	C2	H6	108.129	H7	C3	H8	118.010

	hartrees
Energy at 0K	-154.022144
Energy at 298.15K	-154.026876
HF Energy	-153.490268
Nuclear repulsion energy	75.094336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3919	3718	30.28
2	A	3342	3171	5.27
3	A	3220	3054	5.69
4	A	3049	2892	57.80
5	A	2985	2832	60.42
6	A	1532	1454	5.27
7	A	1500	1423	4.64
8	A	1450	1376	0.66
9	A	1305	1238	54.44
10	A	1253	1189	16.66
11	A	1150	1091	35.87
12	A	1106	1049	35.20
13	A	991	940	10.94
14	A	879	834	14.22
15	A	476	452	28.78
16	A	409	388	28.93
17	A	266	253	94.85
18	A	176	167	24.92

Atom	x (Å)	y (Å)	z (Å)
O1	-1.106	-0.380	-0.066
C2	-0.014	0.522	0.041
C3	1.248	-0.257	-0.034
H4	-1.899	0.125	0.123
H5	-0.056	1.070	0.999
H6	-0.034	1.277	-0.759
H7	2.185	0.246	-0.229
H8	1.256	-1.269	0.346

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4204	2.3574	0.9583	2.0832	2.0917	3.3546	2.5570
C2	1.4204		1.4849	1.9271	1.1044	1.1000	2.2335	2.2168
C3	2.3574	1.4849		3.1731	2.1278	2.1263	1.0816	1.0813
H4	0.9583	1.9271	3.1731		2.2482	2.3619	4.1007	3.4557
H5	2.0832	1.1044	2.1278	2.2482		1.7701	2.6856	2.7603
H6	2.0917	1.1000	2.1263	2.3619	1.7701		2.5042	3.0605
H7	3.3546	2.2335	1.0816	4.1007	2.6856	2.5042		1.8681
H8	2.5570	2.2168	1.0813	3.4557	2.7603	3.0605	1.8681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.447	O1	C2	H5	110.569
O1	C2	H6	111.546	C2	O1	H4	106.599
C2	C3	H7	120.152	C2	C3	H8	118.656
C3	C2	H5	109.647	C3	C2	H6	109.792
H5	C2	H6	106.827	H7	C3	H8	119.471

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

using model chemistry: MP2=FULL/6-311G**

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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