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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	-153.953683
Energy at 298.15K
HF Energy	-153.456571
Nuclear repulsion energy	74.226662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3809	3630
2	A'	3156	3008
3	A'	2992	2851
4	A'	1515	1444
5	A'	1486	1416
6	A'	1435	1368
7	A'	1250	1191
8	A'	1076	1025
9	A'	1008	961
10	A'	597	569
11	A'	366	349
12	A"	3269	3115
13	A"	3030	2888
14	A"	1282	1222
15	A"	1167	1112
16	A"	800	763
17	A"	265	252
18	A"	86i	82i

Atom	x (Å)	y (Å)	z (Å)
O1	-1.120	-0.360	0.000
C2	0.000	0.540	0.000
C3	1.266	-0.268	0.000
H4	-1.910	0.201	0.000
H5	-0.021	1.197	0.897
H6	-0.021	1.197	-0.897
H7	1.657	-0.676	-0.940
H8	1.657	-0.676	0.940

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4366	2.3881	0.9684	2.1063	2.1063	2.9495	2.9495
C2	1.4366		1.5019	1.9400	1.1121	1.1121	2.2605	2.2605
C3	2.3881	1.5019		3.2106	2.1463	2.1463	1.0973	1.0973
H4	0.9684	1.9400	3.2106		2.3167	2.3167	3.7921	3.7921
H5	2.1063	1.1121	2.1463	2.3167		1.7939	3.1146	2.5153
H6	2.1063	1.1121	2.1463	2.3167	1.7939		2.5153	3.1146
H7	2.9495	2.2605	1.0973	3.7921	3.1146	2.5153		1.8807
H8	2.9495	2.2605	1.0973	3.7921	2.5153	3.1146	1.8807

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

using model chemistry: QCISD(T)/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	108.699	O1	C2	H5	110.821
O1	C2	H6	110.821	C2	O1	H4	105.893
C2	C3	H7	120.047	C2	C3	H8	120.047
C3	C2	H5	109.482	C3	C2	H6	109.482
H5	C2	H6	107.516	H7	C3	H8	117.959

	hartrees
Energy at 0K	-153.955124
Energy at 298.15K
HF Energy	-153.457823
Nuclear repulsion energy	74.532951

Atom	x (Å)	y (Å)	z (Å)
O1	-1.110	-0.386	-0.054
C2	-0.019	0.525	0.036
C3	1.257	-0.256	-0.031
H4	-1.913	0.134	0.085
H5	-0.040	1.281	-0.784
H6	-0.059	1.105	0.993
H7	2.211	0.259	-0.189
H8	1.254	-1.304	0.294

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4247	2.3703	0.9668	2.1107	2.1028	3.3861	2.5599
C2	1.4247		1.4970	1.9352	1.1153	1.1193	2.2569	2.2429
C3	2.3703	1.4970		3.1957	2.1474	2.1521	1.0964	1.0963
H4	0.9668	1.9352	3.1957		2.3617	2.2810	4.1354	3.4847
H5	2.1107	1.1153	2.1474	2.3617		1.7857	2.5430	3.0847
H6	2.1028	1.1193	2.1521	2.2810	1.7857		2.6959	2.8308
H7	3.3861	2.2569	1.0964	4.1354	2.5430	2.6959		1.8948
H8	2.5599	2.2429	1.0963	3.4847	3.0847	2.8308	1.8948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.415	O1	C2	H5	111.828
O1	C2	H6	110.928	C2	O1	H4	106.457
C2	C3	H7	120.187	C2	C3	H8	118.926
C3	C2	H5	109.711	C3	C2	H6	109.846
H5	C2	H6	106.096	H7	C3	H8	119.566

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

using model chemistry: QCISD(T)/cc-pVDZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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