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	hartrees
Energy at 0K	-154.285292
Energy at 298.15K	-154.290289
HF Energy	-154.126666
Nuclear repulsion energy	75.016779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3849	3673	55.84
2	A	3163	3019	48.03
3	A	3139	2995	7.26
4	A	3089	2948	17.41
5	A	2998	2862	38.47
6	A	1509	1440	1.82
7	A	1482	1414	12.20
8	A	1466	1399	17.87
9	A	1413	1349	0.21
10	A	1286	1228	109.12
11	A	1213	1158	53.18
12	A	1071	1022	34.02
13	A	1042	995	8.36
14	A	938	895	10.59
15	A	608	580	18.53
16	A	419	399	10.83
17	A	361	345	135.75
18	A	190	181	5.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.089	0.508	-0.103
C2	1.226	-0.165	0.012
O3	-1.167	-0.340	0.023
H4	-0.228	1.521	0.258
H5	1.291	-1.004	-0.683
H6	2.028	0.535	-0.218
H7	1.402	-0.562	1.020
H8	-1.978	0.176	-0.011

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4810	1.3776	1.0848	2.1273	2.1202	2.1513	1.9208
C2	1.4810		2.3992	2.2401	1.0913	1.0894	1.0980	3.2222
O3	1.3776	2.3992		2.0980	2.6420	3.3217	2.7651	0.9621
H4	1.0848	2.2401	2.0980		3.0936	2.5081	2.7527	2.2239
H5	2.1273	1.0913	2.6420	3.0936		1.7689	1.7633	3.5400
H6	2.1202	1.0894	3.3217	2.5081	1.7689		1.7683	4.0279
H7	2.1513	1.0980	2.7651	2.7527	1.7633	1.7683		3.6105
H8	1.9208	3.2222	0.9621	2.2239	3.5400	4.0279	3.6105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.671	C1	C2	H6	110.213
C1	C2	H7	112.208	C1	O3	H8	109.073
C2	C1	O3	114.078	C2	C1	H4	120.845
O3	C1	H4	116.358	H5	C2	H6	108.417
H5	C2	H7	107.307	H6	C2	H7	107.884

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

using model chemistry: B2PLYP/TZVP

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	-0.059
2	C	-0.305
3	O	-0.331
4	H	0.086
5	H	0.119
6	H	0.106
7	H	0.108
8	H	0.276

	x	y	z	Total
	-0.491	1.281	0.343	1.414
CHELPG
AIM
ESP

	x	y	z
x	5.006	-0.069	0.062
y	-0.069	4.285	-0.044
z	0.062	-0.044	3.636

<r²>	51.675
(<r²>)^1/2	7.189

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

using model chemistry: B2PLYP/TZVP

States and conformations

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