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	hartrees
Energy at 0K	-154.329453
Energy at 298.15K	-154.334449
HF Energy	-154.329453
Nuclear repulsion energy	74.974378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3907	3907	76.16
2	A	3170	3170	37.49
3	A	3149	3149	4.58
4	A	3092	3092	14.72
5	A	3016	3016	33.18
6	A	1469	1469	11.08
7	A	1451	1451	18.29
8	A	1434	1434	6.74
9	A	1367	1367	0.49
10	A	1288	1288	159.32
11	A	1222	1222	23.11
12	A	1066	1066	20.99
13	A	1010	1010	2.71
14	A	938	938	10.55
15	A	565	565	15.63
16	A	417	417	55.33
17	A	400	400	78.99
18	A	185	185	3.70

Atom	x (Å)	y (Å)	z (Å)
C1	-0.092	0.508	-0.100
C2	1.226	-0.165	0.011
O3	-1.163	-0.340	0.023
H4	-0.235	1.532	0.251
H5	1.302	-0.981	-0.720
H6	2.032	0.553	-0.179
H7	1.383	-0.604	1.012
H8	-1.982	0.163	-0.020

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4843	1.3722	1.0915	2.1326	2.1256	2.1562	1.9229
C2	1.4843		2.3957	2.2523	1.0986	1.0956	1.1042	3.2248
O3	1.3722	2.3957		2.1022	2.6535	3.3235	2.7444	0.9620
H4	1.0915	2.2523	2.1022		3.1023	2.5065	2.7857	2.2359
H5	2.1326	1.0986	2.6535	3.1023		1.7829	1.7748	3.5475
H6	2.1256	1.0956	3.3235	2.5065	1.7829		1.7823	4.0357
H7	2.1562	1.1042	2.7444	2.7857	1.7748	1.7823		3.6024
H8	1.9229	3.2248	0.9620	2.2359	3.5475	4.0357	3.6024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.424	C1	C2	H6	110.046
C1	C2	H7	111.983	C1	O3	H8	109.683
C2	C1	O3	113.947	C2	C1	H4	121.197
O3	C1	H4	116.676	H5	C2	H6	108.694
H5	C2	H7	107.353	H6	C2	H7	108.234

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	0.795
2	C	0.594
3	O	-0.450
4	H	-0.548
5	H	-0.182
6	H	-0.190
7	H	-0.176
8	H	0.156

	x	y	z	Total
	-0.440	1.160	0.309	1.279
CHELPG
AIM
ESP

	x	y	z
x	5.575	-0.121	0.054
y	-0.121	4.843	-0.143
z	0.054	-0.143	4.380

<r²>	51.685
(<r²>)^1/2	7.189

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

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

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