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	hartrees
Energy at 0K	-154.027478
Energy at 298.15K	-154.032485
HF Energy	-153.514515
Nuclear repulsion energy	74.957766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3892	3714	47.42
2	A	3172	3028	49.94
3	A	3150	3006	7.72
4	A	3106	2965	19.69
5	A	3022	2884	33.33
6	A	1520	1450	2.41
7	A	1491	1423	18.17
8	A	1485	1417	7.26
9	A	1426	1361	0.39
10	A	1313	1253	119.26
11	A	1229	1173	40.78
12	A	1083	1034	28.92
13	A	1058	1010	8.91
14	A	945	902	10.04
15	A	650	620	14.88
16	A	420	401	10.12
17	A	343	327	129.89
18	A	186	178	7.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.092	0.510	-0.110
C2	1.228	-0.166	0.013
O3	-1.166	-0.342	0.024
H4	-0.228	1.516	0.275
H5	1.287	-1.013	-0.674
H6	2.031	0.533	-0.227
H7	1.398	-0.547	1.028
H8	-1.972	0.180	-0.008

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4873	1.3778	1.0864	2.1299	2.1257	2.1523	1.9118
C2	1.4873		2.4006	2.2399	1.0920	1.0908	1.0980	3.2185
O3	1.3778	2.4006		2.0969	2.6373	3.3240	2.7619	0.9606
H4	1.0864	2.2399	2.0969		3.0971	2.5143	2.7330	2.2152
H5	2.1299	1.0920	2.6373	3.0971		1.7723	1.7684	3.5337
H6	2.1257	1.0908	3.3240	2.5143	1.7723		1.7723	4.0242
H7	2.1523	1.0980	2.7619	2.7330	1.7684	1.7723		3.6003
H8	1.9118	3.2185	0.9606	2.2152	3.5337	4.0242	3.6003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.388	C1	C2	H6	110.126
C1	C2	H7	111.834	C1	O3	H8	108.360
C2	C1	O3	113.774	C2	C1	H4	120.190
O3	C1	H4	116.128	H5	C2	H6	108.568
H5	C2	H7	107.694	H6	C2	H7	108.127

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

using model chemistry: CCSD/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: CCSD/TZVP

States and conformations

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