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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	-153.943018
Energy at 298.15K
HF Energy	-153.460571
Nuclear repulsion energy	74.646326

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3906	3681	19.89
2	A'	3242	3054	7.60
3	A'	3088	2910	56.87
4	A'	1578	1487	0.67
5	A'	1535	1446	3.54
6	A'	1467	1382	9.32
7	A'	1251	1179	59.51
8	A'	1094	1031	98.47
9	A'	1019	961	27.10
10	A'	628	592	21.34
11	A'	388	366	38.51
12	A"	3355	3162	10.00
13	A"	3133	2953	46.19
14	A"	1323	1247	0.30
15	A"	1203	1133	1.19
16	A"	829	781	0.56
17	A"	244	230	145.99
18	A"	42i	39i	0.27

Atom	x (Å)	y (Å)	z (Å)
O1	-1.109	-0.375	0.000
C2	0.000	0.544	0.000
C3	1.263	-0.248	0.000
H4	-1.925	0.137	0.000
H5	-0.045	1.182	0.887
H6	-0.045	1.182	-0.887
H7	1.656	-0.640	-0.927
H8	1.656	-0.640	0.927

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4403	2.3762	0.9633	2.0841	2.0841	2.9284	2.9284
C2	1.4403		1.4907	1.9679	1.0939	1.0939	2.2361	2.2361
C3	2.3762	1.4907		3.2120	2.1316	2.1316	1.0799	1.0799
H4	0.9633	1.9679	3.2120		2.3269	2.3269	3.7799	3.7799
H5	2.0841	1.0939	2.1316	2.3269		1.7742	3.0824	2.4928
H6	2.0841	1.0939	2.1316	2.3269	1.7742		2.4928	3.0824
H7	2.9284	2.2361	1.0799	3.7799	3.0824	2.4928		1.8530
H8	2.9284	2.2361	1.0799	3.7799	2.4928	3.0824	1.8530

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

using model chemistry: CCD/6-31+G**

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	108.323	O1	C2	H5	109.901
O1	C2	H6	109.901	C2	O1	H4	108.282
C2	C3	H7	120.046	C2	C3	H8	120.046
C3	C2	H5	110.170	C3	C2	H6	110.170
H5	C2	H6	108.372	H7	C3	H8	118.183

	hartrees
Energy at 0K	-153.943698
Energy at 298.15K	-153.948321
HF Energy	-153.461415
Nuclear repulsion energy	74.889700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3927	3700	27.75
2	A	3368	3174	5.66
3	A	3249	3061	5.88
4	A	3087	2908	50.76
5	A	3027	2853	58.70
6	A	1563	1473	2.72
7	A	1522	1434	7.29
8	A	1467	1383	5.38
9	A	1297	1222	52.50
10	A	1253	1181	18.76
11	A	1148	1082	35.37
12	A	1107	1043	41.80
13	A	1001	943	8.67
14	A	892	841	16.11
15	A	465	438	24.57
16	A	387	364	56.03
17	A	256	241	120.10
18	A	138	130	17.37

Atom	x (Å)	y (Å)	z (Å)
O1	-1.106	-0.381	-0.058
C2	-0.010	0.529	0.036
C3	1.251	-0.255	-0.018
H4	-1.920	0.105	0.103
H5	-0.074	1.100	0.975
H6	-0.042	1.257	-0.783
H7	2.188	0.239	-0.223
H8	1.249	-1.291	0.281

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4270	2.3604	0.9617	2.0794	2.0843	3.3556	2.5471
C2	1.4270		1.4862	1.9570	1.1008	1.0969	2.2326	2.2269
C3	2.3604	1.4862		3.1935	2.1396	2.1319	1.0788	1.0785
H4	0.9617	1.9570	3.1935		2.2710	2.3750	4.1229	3.4675
H5	2.0794	1.1008	2.1396	2.2710		1.7657	2.7007	2.8196
H6	2.0843	1.0969	2.1319	2.3750	1.7657		2.5146	3.0488
H7	3.3556	2.2326	1.0788	4.1229	2.7007	2.5146		1.8646
H8	2.5471	2.2269	1.0785	3.4675	2.8196	3.0488	1.8646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	108.223	O1	C2	H5	110.023
O1	C2	H6	110.658	C2	O1	H4	108.445
C2	C3	H7	120.175	C2	C3	H8	119.685
C3	C2	H5	110.711	C3	C2	H6	110.331
H5	C2	H6	106.908	H7	C3	H8	119.608

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

using model chemistry: CCD/6-31+G**

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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