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	hartrees
Energy at 0K	-153.485428
Energy at 298.15K	-153.490336
HF Energy	-153.485428
Nuclear repulsion energy	74.286070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3592	3411	13.34
2	A	3162	3002	40.38
3	A	3142	2984	15.70
4	A	3104	2948	14.59
5	A	3009	2857	31.73
6	A	1561	1483	3.68
7	A	1537	1459	10.80
8	A	1470	1396	20.48
9	A	1453	1379	0.42
10	A	1288	1223	87.41
11	A	1202	1141	56.37
12	A	1082	1027	16.84
13	A	1058	1005	39.04
14	A	937	889	5.98
15	A	588	558	21.17
16	A	397	377	30.19
17	A	361	343	159.77
18	A	159	151	2.46

Atom	x (Å)	y (Å)	z (Å)
C1	-0.080	0.521	-0.097
C2	1.232	-0.173	0.009
O3	-1.178	-0.341	0.028
H4	-0.189	1.543	0.262
H5	1.240	-1.050	-0.646
H6	2.041	0.499	-0.291
H7	1.440	-0.525	1.032
H8	-2.016	0.175	-0.052

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4879	1.4010	1.0888	2.1248	2.1300	2.1635	1.9666
C2	1.4879		2.4155	2.2421	1.0951	1.0937	1.1021	3.2666
O3	1.4010	2.4155		2.1409	2.6085	3.3416	2.8103	0.9873
H4	1.0888	2.2421	2.1409		3.0974	2.5230	2.7434	2.3040
H5	2.1248	1.0951	2.6085	3.0974		1.7801	1.7699	3.5293
H6	2.1300	1.0937	3.3416	2.5230	1.7801		1.7779	4.0763
H7	2.1635	1.1021	2.8103	2.7434	1.7699	1.7779		3.6893
H8	1.9666	3.2666	0.9873	2.3040	3.5293	4.0763	3.6893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.761	C1	C2	H6	110.251
C1	C2	H7	112.449	C1	O3	H8	109.641
C2	C1	O3	113.431	C2	C1	H4	120.154
O3	C1	H4	118.062	H5	C2	H6	108.829
H5	C2	H7	107.317	H6	C2	H7	108.124

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

using model chemistry: mPW1PW91/3-21G*

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	0.013
2	C	-0.692
3	O	-0.559
4	H	0.184
5	H	0.239
6	H	0.220
7	H	0.223
8	H	0.371

	x	y	z	Total
	-0.625	1.348	0.234	1.504
CHELPG
AIM
ESP

	x	y	z
x	4.432	-0.061	0.036
y	-0.061	3.440	0.039
z	0.036	0.039	2.357

<r²>	51.790
(<r²>)^1/2	7.197

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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