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	hartrees
Energy at 0K	-30.181310
Energy at 298.15K	-30.186166
HF Energy	-30.181310
Nuclear repulsion energy	43.118172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3818	3818	20.65
2	A	3183	3183	74.13
3	A	3156	3156	39.28
4	A	3130	3130	39.66
5	A	3036	3036	39.42
6	A	1519	1519	5.23
7	A	1492	1492	14.66
8	A	1470	1470	34.70
9	A	1414	1414	2.09
10	A	1256	1256	85.59
11	A	1198	1198	85.03
12	A	1073	1073	43.86
13	A	1047	1047	10.48
14	A	939	939	12.39
15	A	531	531	33.69
16	A	397	397	16.81
17	A	362	362	215.25
18	A	157	157	6.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.082	0.528	-0.094
C2	1.250	-0.175	0.009
O3	-1.190	-0.341	0.028
H4	-0.226	1.559	0.254
H5	1.298	-1.008	-0.711
H6	2.066	0.530	-0.211
H7	1.417	-0.598	1.019
H8	-2.041	0.129	-0.061

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5095	1.4133	1.0980	2.1549	2.1517	2.1803	1.9992
C2	1.5095		2.4452	2.2906	1.1021	1.1011	1.1078	3.3053
O3	1.4133	2.4452		2.1429	2.6792	3.3792	2.8005	0.9765
H4	1.0980	2.2906	2.1429		3.1376	2.5559	2.8178	2.3318
H5	2.1549	1.1021	2.6792	3.1376		1.7904	1.7823	3.5863
H6	2.1517	1.1011	3.3792	2.5559	1.7904		1.7909	4.1295
H7	2.1803	1.1078	2.8005	2.8178	1.7823	1.7909		3.6946
H8	1.9992	3.3053	0.9765	2.3318	3.5863	4.1295	3.6946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.229	C1	C2	H6	110.037
C1	C2	H7	111.913	C1	O3	H8	112.265
C2	C1	O3	113.522	C2	C1	H4	122.124
O3	C1	H4	116.587	H5	C2	H6	108.707
H5	C2	H7	107.514	H6	C2	H7	108.344

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

using model chemistry: wB97X-D/CEP-31G

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	-0.217
2	C	-0.322
3	O	-0.411
4	H	0.171
5	H	0.153
6	H	0.133
7	H	0.137
8	H	0.356

	x	y	z	Total
	-0.383	1.624	0.349	1.704
CHELPG
AIM
ESP

	x	y	z
x	4.530	-0.060	0.072
y	-0.060	3.547	-0.137
z	0.072	-0.137	2.614

<r²>	45.943
(<r²>)^1/2	6.778

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

using model chemistry: wB97X-D/CEP-31G

States and conformations

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