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	hartrees
Energy at 0K	-154.389676
Energy at 298.15K	-154.394511
HF Energy	-154.389676
Nuclear repulsion energy	74.392365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3678	3665	44.59
2	A	3063	3052	36.80
3	A	3019	3009	10.77
4	A	2953	2943	19.10
5	A	2851	2842	63.52
6	A	1450	1445	1.34
7	A	1424	1419	7.97
8	A	1397	1392	13.58
9	A	1359	1355	0.62
10	A	1231	1227	80.11
11	A	1151	1147	67.00
12	A	1026	1023	35.62
13	A	992	988	6.12
14	A	895	892	12.73
15	A	514	512	18.07
16	A	396	394	8.56
17	A	351	350	114.54
18	A	172	172	3.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.085	0.508	-0.092
C2	1.236	-0.165	0.011
O3	-1.181	-0.343	0.018
H4	-0.235	1.539	0.227
H5	1.322	-0.986	-0.716
H6	2.041	0.553	-0.185
H7	1.415	-0.605	1.011
H8	-1.998	0.183	0.004

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4863	1.3918	1.0901	2.1450	2.1290	2.1698	1.9426
C2	1.4863		2.4237	2.2615	1.0997	1.0960	1.1078	3.2529
O3	1.3918	2.4237		2.1172	2.6866	3.3506	2.7918	0.9719
H4	1.0901	2.2615	2.1172		3.1130	2.5147	2.8169	2.2358
H5	2.1450	1.0997	2.6866	3.1130		1.7794	1.7709	3.5929
H6	2.1290	1.0960	3.3506	2.5147	1.7794		1.7787	4.0607
H7	2.1698	1.1078	2.7918	2.8169	1.7709	1.7787		3.6448
H8	1.9426	3.2529	0.9719	2.2358	3.5929	4.0607	3.6448

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.207	C1	C2	H6	110.148
C1	C2	H7	112.716	C1	O3	H8	109.260
C2	C1	O3	114.688	C2	C1	H4	121.988
O3	C1	H4	116.564	H5	C2	H6	108.268
H5	C2	H7	106.682	H6	C2	H7	107.624

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

using model chemistry: BLYP/aug-cc-pVTZ

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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Number	Element	Mulliken
1	C	-0.240
2	C	-0.431
3	O	-0.344
4	H	0.328
5	H	0.198
6	H	0.174
7	H	0.173
8	H	0.141

	x	y	z	Total
	-0.459	1.107	0.325	1.242
CHELPG
AIM
ESP

	x	y	z
x	6.262	-0.202	0.126
y	-0.202	5.325	-0.233
z	0.126	-0.233	4.818

<r²>	52.659
(<r²>)^1/2	7.257

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

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

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