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	hartrees
Energy at 0K	-154.028867
Energy at 298.15K	-154.033873
HF Energy	-153.514448
Nuclear repulsion energy	74.920001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3884	3711	47.41
2	A	3169	3028	50.50
3	A	3147	3006	7.74
4	A	3104	2965	20.02
5	A	3018	2884	34.19
6	A	1519	1451	2.11
7	A	1489	1423	15.52
8	A	1483	1417	8.89
9	A	1425	1361	0.44
10	A	1309	1251	112.10
11	A	1225	1170	42.10
12	A	1081	1033	28.94
13	A	1058	1010	9.22
14	A	943	901	10.02
15	A	651	622	14.89
16	A	420	401	10.16
17	A	344	328	129.15
18	A	186	178	7.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.091	0.511	-0.111
C2	1.228	-0.166	0.013
O3	-1.167	-0.342	0.023
H4	-0.228	1.516	0.277
H5	1.287	-1.013	-0.674
H6	2.032	0.532	-0.226
H7	1.398	-0.547	1.029
H8	-1.972	0.182	-0.007

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4876	1.3795	1.0866	2.1303	2.1259	2.1530	1.9126
C2	1.4876		2.4014	2.2404	1.0922	1.0911	1.0983	3.2191
O3	1.3795	2.4014		2.0978	2.6380	3.3253	2.7625	0.9611
H4	1.0866	2.2404	2.0978		3.0980	2.5155	2.7327	2.2148
H5	2.1303	1.0922	2.6380	3.0980		1.7726	1.7687	3.5350
H6	2.1259	1.0911	3.3253	2.5155	1.7726		1.7726	4.0252
H7	2.1530	1.0983	2.7625	2.7327	1.7687	1.7726		3.6001
H8	1.9126	3.2191	0.9611	2.2148	3.5350	4.0252	3.6001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.392	C1	C2	H6	110.113
C1	C2	H7	111.851	C1	O3	H8	108.276
C2	C1	O3	113.716	C2	C1	H4	120.193
O3	C1	H4	116.061	H5	C2	H6	108.561
H5	C2	H7	107.694	H6	C2	H7	108.125

All results from a given calculation for CH₃CHOH (1-hydroxy-ethyl radical)

using model chemistry: QCISD/TZVP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3CHOH (1-hydroxy-ethyl radical)

using model chemistry: QCISD/TZVP

States and conformations

All results from a given calculation for CH₃CHOH (1-hydroxy-ethyl radical)