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	hartrees
Energy at 0K	-152.412816
Energy at 298.15K	-152.417644
HF Energy	-152.412816
Nuclear repulsion energy	73.003079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3685	3685	22.65
2	A	3473	3473	1.05
3	A	3424	3424	3.05
4	A	3342	3342	9.85
5	A	3278	3278	4.20
6	A	1694	1694	1.48
7	A	1676	1676	3.51
8	A	1588	1588	6.84
9	A	1550	1550	7.49
10	A	1425	1425	67.11
11	A	1267	1267	7.13
12	A	1129	1129	6.63
13	A	1113	1113	7.31
14	A	981	981	2.32
15	A	671	671	7.18
16	A	449	449	69.48
17	A	393	393	11.33
18	A	139	139	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	-0.097	0.522	-0.128
C2	1.258	-0.168	0.017
O3	-1.200	-0.362	0.023
H4	-0.207	1.533	0.312
H5	1.262	-1.126	-0.530
H6	2.052	0.474	-0.402
H7	1.523	-0.381	1.072
H8	-2.004	0.280	0.029

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.5272	1.4215	1.1081	2.1728	2.1663	2.2085	1.9295
C2	1.5272		2.4657	2.2644	1.1029	1.1031	1.1084	3.2934
O3	1.4215	2.4657		2.1586	2.6358	3.3840	2.9177	1.0296
H4	1.1081	2.2644	2.1586		3.1519	2.5951	2.6899	2.2090
H5	2.1728	1.1029	2.6358	3.1519		1.7885	1.7855	3.5996
H6	2.1663	1.1031	3.3840	2.5951	1.7885		1.7843	4.0837
H7	2.2085	1.1084	2.9177	2.6899	1.7855	1.7843		3.7372
H8	1.9295	3.2934	1.0296	2.2090	3.5996	4.0837	3.7372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.364	C1	C2	H6	109.843
C1	C2	H7	112.882	C1	O3	H8	102.671
C2	C1	O3	113.428	C2	C1	H4	117.587
O3	C1	H4	116.610	H5	C2	H6	108.334
H5	C2	H7	107.696	H6	C2	H7	107.573

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

using model chemistry: TPSSh/STO-3G

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	-0.020
2	C	-0.217
3	O	-0.203
4	H	0.040
5	H	0.074
6	H	0.071
7	H	0.066
8	H	0.189

	x	y	z	Total
	-0.648	0.912	0.345	1.171
CHELPG
AIM
ESP

	x	y	z
x	3.084	0.009	-0.099
y	0.009	1.973	0.049
z	-0.099	0.049	1.187

<r²>	52.529
(<r²>)^1/2	7.248

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

using model chemistry: TPSSh/STO-3G

States and conformations

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