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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	-153.897687
Energy at 298.15K
HF Energy	-153.452979
Nuclear repulsion energy	74.804846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3876	3630	14.22
2	A'	3268	3061	7.53
3	A'	3086	2890	59.63
4	A'	1587	1486	1.70
5	A'	1546	1448	2.59
6	A'	1476	1382	10.37
7	A'	1260	1180	60.18
8	A'	1096	1026	84.03
9	A'	1032	966	31.53
10	A'	631	591	15.27
11	A'	382	358	31.53
12	A"	3388	3173	10.14
13	A"	3134	2935	59.25
14	A"	1327	1243	0.13
15	A"	1209	1132	1.44
16	A"	833	780	0.57
17	A"	284	266	134.24
18	A"	17i	16i	0.05

Atom	x (Å)	y (Å)	z (Å)
O1	-1.106	-0.375	0.000
C2	0.000	0.543	0.000
C3	1.260	-0.246	0.000
H4	-1.911	0.158	0.000
H5	-0.035	1.189	0.884
H6	-0.035	1.189	-0.884
H7	1.634	-0.659	-0.923
H8	1.634	-0.659	0.923

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4369	2.3694	0.9652	2.0904	2.0904	2.9048	2.9048
C2	1.4369		1.4868	1.9495	1.0949	1.0949	2.2284	2.2284
C3	2.3694	1.4868		3.1968	2.1255	2.1255	1.0780	1.0780
H4	0.9652	1.9495	3.1968		2.3155	2.3155	3.7529	3.7529
H5	2.0904	1.0949	2.1255	2.3155		1.7671	3.0763	2.4903
H6	2.0904	1.0949	2.1255	2.3155	1.7671		2.4903	3.0763
H7	2.9048	2.2284	1.0780	3.7529	3.0763	2.4903		1.8462
H8	2.9048	2.2284	1.0780	3.7529	2.4903	3.0763	1.8462

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

using model chemistry: MP2/6-31G**

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	108.262	O1	C2	H5	110.588
O1	C2	H6	110.588	C2	O1	H4	106.858
C2	C3	H7	119.800	C2	C3	H8	119.800
C3	C2	H5	109.903	C3	C2	H6	109.903
H5	C2	H6	107.599	H7	C3	H8	117.807

	hartrees
Energy at 0K	-153.898791
Energy at 298.15K	-153.903551
HF Energy	-153.454045
Nuclear repulsion energy	75.053201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3900	3652	20.82
2	A	3399	3183	5.59
3	A	3274	3066	5.38
4	A	3085	2889	63.54
5	A	3023	2831	62.83
6	A	1569	1470	3.33
7	A	1530	1433	6.07
8	A	1476	1382	5.88
9	A	1300	1217	58.33
10	A	1257	1177	12.65
11	A	1152	1079	27.36
12	A	1111	1041	44.12
13	A	1010	946	9.81
14	A	897	840	17.40
15	A	471	441	25.90
16	A	409	383	28.81
17	A	291	273	112.93
18	A	179	168	18.08

Atom	x (Å)	y (Å)	z (Å)
O1	-1.101	-0.383	-0.057
C2	-0.011	0.529	0.035
C3	1.243	-0.257	-0.022
H4	-1.904	0.124	0.104
H5	-0.063	1.105	0.973
H6	-0.032	1.263	-0.780
H7	2.182	0.234	-0.212
H8	1.236	-1.287	0.291

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4244	2.3473	0.9629	2.0861	2.0918	3.3437	2.5292
C2	1.4244		1.4807	1.9368	1.1014	1.0975	2.2259	2.2170
C3	2.3473	1.4807		3.1717	2.1330	2.1241	1.0765	1.0759
H4	0.9629	1.9368	3.1717		2.2591	2.3626	4.0988	3.4465
H5	2.0861	1.1014	2.1330	2.2591		1.7604	2.6833	2.8054
H6	2.0918	1.0975	2.1241	2.3626	1.7604		2.5067	3.0423
H7	3.3437	2.2259	1.0765	4.0988	2.6833	2.5067		1.8600
H8	2.5292	2.2170	1.0759	3.4465	2.8054	3.0423	1.8600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	107.783	O1	C2	H5	110.710
O1	C2	H6	111.421	C2	O1	H4	106.844
C2	C3	H7	120.198	C2	C3	H8	119.418
C3	C2	H5	110.532	C3	C2	H6	110.058
H5	C2	H6	106.362	H7	C3	H8	119.569

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

using model chemistry: MP2/6-31G**

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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