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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	-153.898292
Energy at 298.15K
HF Energy	-153.438841
Nuclear repulsion energy	74.363765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3709	3558
2	A'	3173	3043
3	A'	3003	2881
4	A'	1568	1504
5	A'	1515	1454
6	A'	1463	1403
7	A'	1263	1211
8	A'	1079	1035
9	A'	1010	969
10	A'	614	589
11	A'	376	361
12	A"	3277	3144
13	A"	3039	2915
14	A"	1306	1253
15	A"	1191	1142
16	A"	822	788
17	A"	275	264
18	A"	91i	87i

Atom	x (Å)	y (Å)	z (Å)
O1	-1.113	-0.376	0.000
C2	0.000	0.544	0.000
C3	1.265	-0.250	0.000
H4	-1.924	0.164	0.000
H5	-0.037	1.193	0.891
H6	-0.037	1.193	-0.891
H7	1.656	-0.653	-0.931
H8	1.656	-0.653	0.931

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4435	2.3806	0.9746	2.1007	2.1007	2.9338	2.9338
C2	1.4435		1.4929	1.9614	1.1034	1.1034	2.2452	2.2452
C3	2.3806	1.4929		3.2155	2.1381	2.1381	1.0876	1.0876
H4	0.9746	1.9614	3.2155		2.3269	2.3269	3.7880	3.7880
H5	2.1007	1.1034	2.1381	2.3269		1.7826	3.0979	2.5053
H6	2.1007	1.1034	2.1381	2.3269	1.7826		2.5053	3.0979
H7	2.9338	2.2452	1.0876	3.7880	3.0979	2.5053		1.8625
H8	2.9338	2.2452	1.0876	3.7880	2.5053	3.0979	1.8625

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

using model chemistry: QCISD(T)/6-31G*

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	108.319	O1	C2	H5	110.419
O1	C2	H6	110.419	C2	O1	H4	106.800
C2	C3	H7	120.110	C2	C3	H8	120.110
C3	C2	H5	109.966	C3	C2	H6	109.966
H5	C2	H6	107.754	H7	C3	H8	117.792

	hartrees
Energy at 0K	-153.899504
Energy at 298.15K
HF Energy	-153.439825
Nuclear repulsion energy	74.648732

Atom	x (Å)	y (Å)	z (Å)
O1	-1.108	-0.385	-0.057
C2	-0.011	0.529	0.039
C3	1.252	-0.257	-0.028
H4	-1.925	0.124	0.083
H5	-0.038	1.276	-0.777
H6	-0.066	1.100	0.990
H7	2.200	0.239	-0.219
H8	1.250	-1.290	0.308

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4315	2.3634	0.9729	2.1031	2.0950	3.3704	2.5522
C2	1.4315		1.4892	1.9569	1.1063	1.1105	2.2450	2.2304
C3	2.3634	1.4892		3.2015	2.1392	2.1479	1.0872	1.0864
H4	0.9729	1.9569	3.2015		2.3720	2.2874	4.1377	3.4833
H5	2.1031	1.1063	2.1392	2.3720		1.7760	2.5292	3.0699
H6	2.0950	1.1105	2.1479	2.2874	1.7760		2.7088	2.8125
H7	3.3704	2.2450	1.0872	4.1377	2.5292	2.7088		1.8759
H8	2.5522	2.2304	1.0864	3.4833	3.0699	2.8125	1.8759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.017	O1	C2	H5	111.289
O1	C2	H6	110.364	C2	O1	H4	107.414
C2	C3	H7	120.435	C2	C3	H8	119.156
C3	C2	H5	110.136	C3	C2	H6	110.576
H5	C2	H6	106.478	H7	C3	H8	119.315

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

using model chemistry: QCISD(T)/6-31G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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