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	hartrees
Energy at 0K	-154.343795
Energy at 298.15K	-154.348647
HF Energy	-154.343795
Nuclear repulsion energy	74.071600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3677	3670	43.25
2	A	3065	3059	40.80
3	A	3030	3024	10.21
4	A	2961	2956	19.84
5	A	2857	2851	64.35
6	A	1418	1415	1.26
7	A	1394	1391	12.81
8	A	1383	1380	8.50
9	A	1330	1327	0.28
10	A	1228	1226	85.98
11	A	1149	1147	69.67
12	A	1023	1021	24.83
13	A	971	969	4.97
14	A	891	889	13.79
15	A	517	516	17.00
16	A	394	393	20.81
17	A	379	378	103.53
18	A	171	170	3.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.087	0.512	-0.095
C2	1.239	-0.166	0.011
O3	-1.183	-0.345	0.020
H4	-0.236	1.549	0.238
H5	1.324	-0.995	-0.721
H6	2.049	0.559	-0.188
H7	1.419	-0.608	1.020
H8	-2.003	0.182	-0.005

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4926	1.3966	1.1000	2.1562	2.1380	2.1826	1.9465
C2	1.4926		2.4291	2.2738	1.1084	1.1050	1.1166	3.2607
O3	1.3966	2.4291		2.1288	2.6941	3.3628	2.8001	0.9748
H4	1.1000	2.2738	2.1288		3.1343	2.5268	2.8288	2.2467
H5	2.1562	1.1084	2.6941	3.1343		1.7951	1.7861	3.6007
H6	2.1380	1.1050	3.3628	2.5268	1.7951		1.7940	4.0734
H7	2.1826	1.1166	2.8001	2.8288	1.7861	1.7940		3.6583
H8	1.9465	3.2607	0.9748	2.2467	3.6007	4.0734	3.6583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.131	C1	C2	H6	109.891
C1	C2	H7	112.755	C1	O3	H8	109.040
C2	C1	O3	114.401	C2	C1	H4	121.844
O3	C1	H4	116.511	H5	C2	H6	108.388
H5	C2	H7	106.791	H6	C2	H7	107.709

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

using model chemistry: BLYP/aug-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	0.855
2	C	0.875
3	O	-0.380
4	H	-0.636
5	H	-0.266
6	H	-0.285
7	H	-0.281
8	H	0.117

	x	y	z	Total
	-0.453	1.107	0.320	1.239
CHELPG
AIM
ESP

	x	y	z
x	6.271	-0.222	0.138
y	-0.222	5.328	-0.224
z	0.138	-0.224	4.786

<r²>	53.001
(<r²>)^1/2	7.280

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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