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

	hartrees
Energy at 0K	-151.613666
Energy at 298.15K	-151.618334
HF Energy	-151.485550
Nuclear repulsion energy	72.934811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3860	3431	46.99
2	A'	3465	3080	0.87
3	A'	3328	2958	12.42
4	A'	1731	1538	1.57
5	A'	1680	1493	0.37
6	A'	1624	1444	11.42
7	A'	1404	1248	26.37
8	A'	1196	1063	7.30
9	A'	1105	982	0.69
10	A'	646	575	4.62
11	A'	387	344	8.99
12	A"	3635	3231	1.54
13	A"	3435	3053	15.60
14	A"	1405	1249	2.25
15	A"	1239	1102	2.02
16	A"	871	774	0.72
17	A"	343	305	65.38
18	A"	134	119	1.34

Atom	x (Å)	y (Å)	z (Å)
O1	-1.137	-0.381	0.000
C2	0.000	0.554	0.000
C3	1.304	-0.253	0.000
H4	-1.919	0.270	0.000
H5	-0.029	1.217	0.898
H6	-0.029	1.217	-0.898
H7	1.624	-0.733	-0.933
H8	1.624	-0.733	0.933

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4721	2.4440	1.0177	2.1413	2.1413	2.9358	2.9358
C2	1.4721		1.5333	1.9405	1.1160	1.1160	2.2728	2.2728
C3	2.4440	1.5333		3.2653	2.1774	2.1774	1.0972	1.0972
H4	1.0177	1.9405	3.2653		2.2970	2.2970	3.7993	3.7993
H5	2.1413	1.1160	2.1774	2.2970		1.7955	3.1442	2.5564
H6	2.1413	1.1160	2.1774	2.2970	1.7955		2.5564	3.1442
H7	2.9358	2.2728	1.0972	3.7993	3.1442	2.5564		1.8661
H8	2.9358	2.2728	1.0972	3.7993	2.5564	3.1442	1.8661

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

using model chemistry: MP2=FULL/STO-3G

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	108.807	O1	C2	H5	110.908
O1	C2	H6	110.908	C2	O1	H4	100.826
C2	C3	H7	118.602	C2	C3	H8	118.602
C3	C2	H5	109.540	C3	C2	H6	109.540
H5	C2	H6	107.114	H7	C3	H8	116.508

	hartrees
Energy at 0K	-151.613606
Energy at 298.15K	-151.618316
HF Energy	-151.485613
Nuclear repulsion energy	73.018738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3870	3440	44.97
2	A	3635	3232	0.92
3	A	3463	3079	0.86
4	A	3399	3021	17.78
5	A	3295	2929	12.20
6	A	1731	1539	1.90
7	A	1680	1493	1.75
8	A	1615	1436	10.91
9	A	1457	1295	24.51
10	A	1331	1183	3.40
11	A	1242	1104	0.57
12	A	1168	1038	9.05
13	A	1068	950	3.06
14	A	957	851	2.39
15	A	575	511	7.06
16	A	414	368	3.83
17	A	358	318	65.70
18	A	156	138	2.02

Atom	x (Å)	y (Å)	z (Å)
O1	-1.141	-0.405	-0.046
C2	-0.019	0.532	0.043
C3	1.286	-0.267	-0.072
H4	-1.933	0.226	0.044
H5	-0.038	1.094	1.012
H6	-0.057	1.302	-0.766
H7	2.230	0.291	-0.128
H8	1.321	-1.264	0.384

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4642	2.4309	1.0168	2.1407	2.1463	3.4423	2.6430
C2	1.4642		1.5343	1.9380	1.1205	1.1174	2.2678	2.2666
C3	2.4309	1.5343		3.2584	2.1868	2.1782	1.0973	1.0971
H4	1.0168	1.9380	3.2584		2.2975	2.3092	4.1663	3.5953
H5	2.1407	1.1205	2.1868	2.2975		1.7898	2.6623	2.7936
H6	2.1463	1.1174	2.1782	2.3092	1.7898		2.5799	3.1312
H7	3.4423	2.2678	1.0973	4.1663	2.6623	2.5799		1.8717
H8	2.6430	2.2666	1.0971	3.5953	2.7936	3.1312	1.8717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.305	O1	C2	H5	111.135
O1	C2	H6	111.781	C2	O1	H4	101.192
C2	C3	H7	118.078	C2	C3	H8	117.986
C3	C2	H5	109.937	C3	C2	H6	109.452
H5	C2	H6	106.217	H7	C3	H8	117.068

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

using model chemistry: MP2=FULL/STO-3G

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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