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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	-153.662296
Energy at 298.15K	-153.666915
HF Energy	-153.379226
Nuclear repulsion energy	73.736562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3742	3499	4.43
2	A'	3214	3006	9.45
3	A'	3062	2863	50.46
4	A'	1606	1502	1.22
5	A'	1546	1446	1.51
6	A'	1491	1395	6.86
7	A'	1274	1191	59.73
8	A'	1078	1008	51.15
9	A'	975	912	54.61
10	A'	645	603	19.44
11	A'	388	363	35.13
12	A"	3324	3108	18.17
13	A"	3099	2898	59.70
14	A"	1338	1252	0.08
15	A"	1204	1126	1.84
16	A"	849	794	0.13
17	A"	280	262	189.20
18	A"	56	52	0.04

Atom	x (Å)	y (Å)	z (Å)
O1	-1.118	-0.405	0.000
C2	0.000	0.557	0.000
C3	1.281	-0.222	0.000
H4	-1.970	0.063	0.000
H5	-0.062	1.199	0.890
H6	-0.062	1.199	-0.890
H7	1.675	-0.618	-0.930
H8	1.675	-0.618	0.930

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4744	2.4050	0.9722	2.1161	2.1161	2.9509	2.9509
C2	1.4744		1.4988	2.0308	1.0989	1.0989	2.2476	2.2476
C3	2.4050	1.4988		3.2628	2.1473	2.1473	1.0852	1.0852
H4	0.9722	2.0308	3.2628		2.3923	2.3923	3.8227	3.8227
H5	2.1161	1.0989	2.1473	2.3923		1.7802	3.1030	2.5135
H6	2.1161	1.0989	2.1473	2.3923	1.7802		2.5135	3.1030
H7	2.9509	2.2476	1.0852	3.8227	3.1030	2.5135		1.8599
H8	2.9509	2.2476	1.0852	3.8227	2.5135	3.1030	1.8599

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

using model chemistry: CID/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	107.972	O1	C2	H5	109.777
O1	C2	H6	109.777	C2	O1	H4	110.521
C2	C3	H7	120.027	C2	C3	H8	120.027
C3	C2	H5	110.559	C3	C2	H6	110.559
H5	C2	H6	108.193	H7	C3	H8	117.953

	hartrees
Energy at 0K	-153.662964
Energy at 298.15K	-153.667537
HF Energy	-153.380100
Nuclear repulsion energy	74.022220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3767	3523	6.91
2	A	3343	3127	8.00
3	A	3223	3014	7.76
4	A	3044	2847	64.31
5	A	3003	2809	58.21
6	A	1597	1494	1.92
7	A	1524	1425	5.36
8	A	1493	1397	2.87
9	A	1302	1217	61.07
10	A	1253	1172	2.80
11	A	1122	1049	9.82
12	A	1096	1025	52.18
13	A	1017	951	7.46
14	A	898	840	23.44
15	A	447	418	19.77
16	A	390	365	65.91
17	A	277	259	158.47
18	A	102	95	20.02

Atom	x (Å)	y (Å)	z (Å)
O1	-1.122	-0.381	-0.035
C2	0.005	0.547	0.029
C3	1.260	-0.268	-0.019
H4	-1.968	0.090	0.026
H5	-0.050	1.144	0.957
H6	-0.032	1.256	-0.814
H7	2.224	0.211	-0.155
H8	1.211	-1.327	0.204

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4622	2.3855	0.9705	2.1114	2.1163	3.4006	2.5293
C2	1.4622		1.4974	2.0259	1.1048	1.1021	2.2515	2.2357
C3	2.3855	1.4974		3.2489	2.1592	2.1509	1.0850	1.0833
H4	0.9705	2.0259	3.2489		2.3783	2.4115	4.1981	3.4859
H5	2.1114	1.1048	2.1592	2.3783		1.7750	2.6979	2.8744
H6	2.1163	1.1021	2.1509	2.4115	1.7750		2.5719	3.0424
H7	3.4006	2.2515	1.0850	4.1981	2.6979	2.5719		1.8766
H8	2.5293	2.2357	1.0833	3.4859	2.8744	3.0424	1.8766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	107.413	O1	C2	H5	109.896
O1	C2	H6	110.455	C2	O1	H4	111.166
C2	C3	H7	120.517	C2	C3	H8	119.198
C3	C2	H5	111.259	C3	C2	H6	110.753
H5	C2	H6	107.091	H7	C3	H8	119.877

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

using model chemistry: CID/6-31G

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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