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	hartrees
Energy at 0K	-154.189973
Energy at 298.15K	-154.194864
HF Energy	-154.189973
Nuclear repulsion energy	74.525098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3725	3674	28.10
2	A	3071	3029	40.71
3	A	3054	3012	23.20
4	A	3000	2959	20.20
5	A	2893	2853	51.67
6	A	1457	1437	1.54
7	A	1430	1410	16.29
8	A	1417	1397	9.79
9	A	1354	1335	0.34
10	A	1247	1230	121.16
11	A	1196	1180	33.65
12	A	1037	1023	25.22
13	A	992	978	5.76
14	A	914	901	9.78
15	A	576	568	18.28
16	A	399	393	14.26
17	A	362	357	125.95
18	A	177	175	2.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.091	0.508	-0.101
C2	1.229	-0.163	0.011
O3	-1.173	-0.345	0.024
H4	-0.227	1.537	0.261
H5	1.294	-1.021	-0.682
H6	2.039	0.541	-0.238
H7	1.434	-0.561	1.030
H8	-1.984	0.193	-0.020

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4859	1.3839	1.0990	2.1434	2.1347	2.1795	1.9203
C2	1.4859		2.4096	2.2529	1.1044	1.1014	1.1125	3.2329
O3	1.3839	2.4096		2.1198	2.6535	3.3424	2.8032	0.9737
H4	1.0990	2.2529	2.1198		3.1218	2.5251	2.7845	2.2295
H5	2.1434	1.1044	2.6535	3.1218		1.7867	1.7777	3.5570
H6	2.1347	1.1014	3.3424	2.5251	1.7867		1.7850	4.0434
H7	2.1795	1.1125	2.8032	2.7845	1.7777	1.7850		3.6543
H8	1.9203	3.2329	0.9737	2.2295	3.5570	4.0434	3.6543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.815	C1	C2	H6	110.302
C1	C2	H7	113.241	C1	O3	H8	107.805
C2	C1	O3	114.158	C2	C1	H4	120.544
O3	C1	H4	116.783	H5	C2	H6	108.189
H5	C2	H7	106.616	H6	C2	H7	107.462

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

using model chemistry: PBEPBEultrafine/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	0.048
2	C	-0.394
3	O	-0.449
4	H	0.086
5	H	0.138
6	H	0.127
7	H	0.126
8	H	0.318

	x	y	z	Total
	-0.652	1.100	0.254	1.303
CHELPG
AIM
ESP

	x	y	z
x	4.935	-0.158	0.062
y	-0.158	3.951	0.044
z	0.062	0.044	2.899

<r²>	51.717
(<r²>)^1/2	7.191

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

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

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