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	hartrees
Energy at 0K	-154.251459
Energy at 298.15K	-154.256435
HF Energy	-154.091737
Nuclear repulsion energy	74.682981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3842	3695	59.19
2	A	3171	3050	40.92
3	A	3142	3022	8.12
4	A	3086	2969	16.89
5	A	2994	2879	39.45
6	A	1474	1418	2.55
7	A	1453	1397	15.01
8	A	1443	1388	11.42
9	A	1377	1325	0.19
10	A	1276	1227	109.19
11	A	1202	1156	58.24
12	A	1064	1023	23.51
13	A	1014	975	4.40
14	A	929	893	12.99
15	A	581	559	17.03
16	A	409	393	9.38
17	A	385	370	118.72
18	A	182	175	4.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.089	0.511	-0.102
C2	1.230	-0.166	0.012
O3	-1.171	-0.342	0.022
H4	-0.234	1.533	0.255
H5	1.298	-1.005	-0.696
H6	2.038	0.543	-0.209
H7	1.403	-0.576	1.025
H8	-1.986	0.172	-0.006

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4868	1.3831	1.0926	2.1383	2.1293	2.1627	1.9293
C2	1.4868		2.4069	2.2562	1.0994	1.0973	1.1061	3.2333
O3	1.3831	2.4069		2.1089	2.6547	3.3359	2.7719	0.9639
H4	1.0926	2.2562	2.1089		3.1133	2.5211	2.7788	2.2336
H5	2.1383	1.0994	2.6547	3.1133		1.7834	1.7761	3.5556
H6	2.1293	1.0973	3.3359	2.5211	1.7834		1.7822	4.0454
H7	2.1627	1.1061	2.7719	2.7788	1.7761	1.7822		3.6198
H8	1.9293	3.2333	0.9639	2.2336	3.5556	4.0454	3.6198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.654	C1	C2	H6	110.059
C1	C2	H7	112.207	C1	O3	H8	109.275
C2	C1	O3	113.947	C2	C1	H4	121.261
O3	C1	H4	116.334	H5	C2	H6	108.551
H5	C2	H7	107.275	H6	C2	H7	107.965

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

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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