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	hartrees
Energy at 0K	-154.223822
Energy at 298.15K	-154.228803
HF Energy	-154.075262
Nuclear repulsion energy	74.753820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3831	3669	55.07
2	A	3154	3021	39.14
3	A	3134	3002	24.87
4	A	3093	2963	19.94
5	A	2997	2871	41.85
6	A	1484	1421	4.67
7	A	1463	1401	16.86
8	A	1450	1389	5.18
9	A	1386	1327	0.30
10	A	1289	1234	141.52
11	A	1218	1167	24.43
12	A	1066	1021	23.91
13	A	1026	983	5.97
14	A	939	900	9.72
15	A	614	588	15.20
16	A	409	392	10.56
17	A	375	359	121.82
18	A	179	171	2.98

Atom	x (Å)	y (Å)	z (Å)
C1	-0.094	0.510	-0.109
C2	1.227	-0.164	0.013
O3	-1.167	-0.344	0.022
H4	-0.230	1.532	0.268
H5	1.283	-1.031	-0.665
H6	2.039	0.532	-0.245
H7	1.417	-0.541	1.038
H8	-1.974	0.186	0.005

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4884	1.3770	1.0977	2.1397	2.1381	2.1684	1.9107
C2	1.4884		2.4008	2.2501	1.1021	1.0998	1.1089	3.2203
O3	1.3770	2.4008		2.1113	2.6346	3.3342	2.7828	0.9659
H4	1.0977	2.2501	2.1113		3.1185	2.5320	2.7565	2.2189
H5	2.1397	1.1021	2.6346	3.1185		1.7866	1.7775	3.5401
H6	2.1381	1.0998	3.3342	2.5320	1.7866		1.7849	4.0358
H7	2.1684	1.1089	2.7828	2.7565	1.7775	1.7849		3.6181
H8	1.9107	3.2203	0.9659	2.2189	3.5401	4.0358	3.6181

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.495	C1	C2	H6	110.498
C1	C2	H7	112.390	C1	O3	H8	107.992
C2	C1	O3	113.775	C2	C1	H4	120.177
O3	C1	H4	116.665	H5	C2	H6	108.465
H5	C2	H7	107.015	H6	C2	H7	107.822

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

using model chemistry: B2PLYP/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	-0.040
2	C	-0.028
3	O	-0.203
4	H	0.009
5	H	0.042
6	H	0.031
7	H	0.034
8	H	0.155

	x	y	z	Total
	-0.633	1.115	0.314	1.319
CHELPG
AIM
ESP

	x	y	z
x	4.780	-0.132	0.028
y	-0.132	3.930	0.065
z	0.028	0.065	2.984

<r²>	51.632
(<r²>)^1/2	7.186

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

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

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