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	hartrees
Energy at 0K	-154.337483
Energy at 298.15K	-154.342394
HF Energy	-154.337483
Nuclear repulsion energy	74.094274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3639	3501	10.16
2	A	3150	3031	66.73
3	A	3126	3007	9.03
4	A	3076	2960	26.95
5	A	2976	2863	48.58
6	A	1545	1486	2.58
7	A	1522	1464	9.03
8	A	1470	1414	13.64
9	A	1435	1381	5.28
10	A	1272	1224	70.43
11	A	1179	1134	66.16
12	A	1075	1034	32.06
13	A	1056	1016	25.19
14	A	928	893	16.88
15	A	567	545	20.80
16	A	401	385	23.70
17	A	370	356	173.39
18	A	165	158	4.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.075	0.523	-0.095
C2	1.235	-0.173	0.009
O3	-1.184	-0.340	0.025
H4	-0.210	1.547	0.252
H5	1.271	-1.027	-0.678
H6	2.049	0.513	-0.246
H7	1.429	-0.565	1.023
H8	-2.026	0.154	-0.041

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4877	1.4100	1.0894	2.1344	2.1295	2.1674	1.9864
C2	1.4877		2.4242	2.2600	1.0962	1.0948	1.1036	3.2780
O3	1.4100	2.4242		2.1356	2.6440	3.3539	2.8056	0.9791
H4	1.0894	2.2600	2.1356		3.1119	2.5338	2.7826	2.3078
H5	2.1344	1.0962	2.6440	3.1119		1.7782	1.7691	3.5598
H6	2.1295	1.0948	3.3539	2.5338	1.7782		1.7763	4.0960
H7	2.1674	1.1036	2.8056	2.7826	1.7691	1.7763		3.6863
H8	1.9864	3.2780	0.9791	2.3078	3.5598	4.0960	3.6863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.474	C1	C2	H6	110.164
C1	C2	H7	112.680	C1	O3	H8	111.212
C2	C1	O3	113.540	C2	C1	H4	121.790
O3	C1	H4	116.818	H5	C2	H6	108.508
H5	C2	H7	107.064	H6	C2	H7	107.799

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

using model chemistry: TPSSh/6-31G

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	0.069
2	C	-0.482
3	O	-0.587
4	H	0.131
5	H	0.175
6	H	0.155
7	H	0.160
8	H	0.378

	x	y	z	Total
	-0.490	1.483	0.219	1.577
CHELPG
AIM
ESP

	x	y	z
x	4.694	-0.044	0.041
y	-0.044	3.736	0.023
z	0.041	0.023	2.615

<r²>	52.193
(<r²>)^1/2	7.224

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

using model chemistry: TPSSh/6-31G

States and conformations

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