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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	-153.666463
Energy at 298.15K	-153.671083
HF Energy	-153.377940
Nuclear repulsion energy	73.398177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3617	3437	4.78
2	A'	3208	3048	8.95
3	A'	3041	2890	51.12
4	A'	1595	1515	1.20
5	A'	1544	1467	0.80
6	A'	1466	1393	7.87
7	A'	1254	1191	49.22
8	A'	1066	1013	40.18
9	A'	927	881	66.00
10	A'	645	613	19.65
11	A'	382	363	34.02
12	A"	3325	3159	16.14
13	A"	3088	2934	59.14
14	A"	1326	1260	0.00
15	A"	1188	1129	1.27
16	A"	847	804	0.06
17	A"	278	264	178.58
18	A"	71	67	0.01

Atom	x (Å)	y (Å)	z (Å)
O1	-1.119	-0.424	0.000
C2	0.000	0.563	0.000
C3	1.285	-0.207	0.000
H4	-1.975	0.057	0.000
H5	-0.070	1.203	0.892
H6	-0.070	1.203	-0.892
H7	1.680	-0.604	-0.930
H8	1.680	-0.604	0.930

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4920	2.4145	0.9817	2.1319	2.1319	2.9550	2.9550
C2	1.4920		1.4978	2.0392	1.1008	1.1008	2.2468	2.2468
C3	2.4145	1.4978		3.2714	2.1496	2.1496	1.0858	1.0858
H4	0.9817	2.0392	3.2714		2.3961	2.3961	3.8291	3.8291
H5	2.1319	1.1008	2.1496	2.3961		1.7846	3.1065	2.5161
H6	2.1319	1.1008	2.1496	2.3961	1.7846		2.5161	3.1065
H7	2.9550	2.2468	1.0858	3.8291	3.1065	2.5161		1.8602
H8	2.9550	2.2468	1.0858	3.8291	2.5161	3.1065	1.8602

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

using model chemistry: MP2=FULL/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	107.718	O1	C2	H5	109.701
O1	C2	H6	109.701	C2	O1	H4	109.305
C2	C3	H7	119.987	C2	C3	H8	119.987
C3	C2	H5	110.702	C3	C2	H6	110.702
H5	C2	H6	108.310	H7	C3	H8	117.882

	hartrees
Energy at 0K	-153.666976
Energy at 298.15K	-153.671585
HF Energy	-153.378845
Nuclear repulsion energy	73.694015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3646	3464	6.26
2	A	3340	3173	7.40
3	A	3214	3053	7.14
4	A	3035	2884	63.08
5	A	2980	2831	57.66
6	A	1584	1505	1.79
7	A	1518	1442	2.90
8	A	1474	1400	5.69
9	A	1281	1217	46.41
10	A	1229	1168	3.33
11	A	1112	1057	2.75
12	A	1078	1024	53.28
13	A	995	945	8.84
14	A	869	826	28.80
15	A	449	427	26.61
16	A	391	371	53.13
17	A	278	264	155.09
18	A	131	125	16.98

Atom	x (Å)	y (Å)	z (Å)
O1	-1.130	-0.384	-0.047
C2	0.012	0.551	0.038
C3	1.261	-0.272	-0.024
H4	-1.973	0.108	0.038
H5	-0.047	1.129	0.980
H6	-0.020	1.277	-0.793
H7	2.221	0.197	-0.213
H8	1.221	-1.313	0.277

	O1	C2	C3	H4	H5	H6	H7	H8
O1		1.4783	2.3931	0.9797	2.1253	2.1326	3.4053	2.5485
C2	1.4783		1.4964	2.0338	1.1073	1.1036	2.2514	2.2345
C3	2.3931	1.4964		3.2562	2.1635	2.1518	1.0858	1.0843
H4	0.9797	2.0338	3.2562		2.3747	2.4230	4.2027	3.5039
H5	2.1253	1.1073	2.1635	2.3747		1.7792	2.7273	2.8402
H6	2.1326	1.1036	2.1518	2.4230	1.7792		2.5546	3.0648
H7	3.4053	2.2514	1.0858	4.2027	2.7273	2.5546		1.8764
H8	2.5485	2.2345	1.0843	3.5039	2.8402	3.0648	1.8764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	107.118	O1	C2	H5	109.733
O1	C2	H6	110.531	C2	O1	H4	110.012
C2	C3	H7	120.522	C2	C3	H8	119.093
C3	C2	H5	111.517	C3	C2	H6	110.802
H5	C2	H6	107.167	H7	C3	H8	119.679

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

using model chemistry: MP2=FULL/6-31G

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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