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	hartrees
Energy at 0K	-154.056641
Energy at 298.15K	-154.061670
HF Energy	-153.474774
Nuclear repulsion energy	75.197166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3922	3693	51.08
2	A	3195	3008	42.10
3	A	3180	2994	5.60
4	A	3140	2956	15.61
5	A	3056	2878	23.60
6	A	1540	1450	1.51
7	A	1517	1429	7.33
8	A	1495	1408	17.95
9	A	1430	1347	0.38
10	A	1322	1244	133.67
11	A	1247	1174	24.57
12	A	1090	1026	22.98
13	A	1059	997	8.32
14	A	955	900	7.90
15	A	649	611	14.53
16	A	411	387	10.41
17	A	371	349	122.55
18	A	187	176	3.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.096	0.510	-0.110
C2	1.223	-0.164	0.013
O3	-1.160	-0.342	0.024
H4	-0.230	1.516	0.277
H5	1.282	-1.010	-0.674
H6	2.029	0.530	-0.223
H7	1.394	-0.551	1.024
H8	-1.965	0.173	-0.009

	C1	C2	O3	H4	H5	H6	H7	H8
C1		1.4861	1.3696	1.0858	2.1275	2.1275	2.1525	1.9028
C2	1.4861		2.3893	2.2364	1.0910	1.0894	1.0963	3.2064
O3	1.3696	2.3893		2.0925	2.6260	3.3147	2.7508	0.9568
H4	1.0858	2.2364	2.0925		3.0931	2.5144	2.7325	2.2130
H5	2.1275	1.0910	2.6260	3.0931		1.7695	1.7623	3.5199
H6	2.1275	1.0894	3.3147	2.5144	1.7695		1.7686	4.0160
H7	2.1525	1.0963	2.7508	2.7325	1.7623	1.7686		3.5888
H8	1.9028	3.2064	0.9568	2.2130	3.5199	4.0160	3.5888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.345	C1	C2	H6	110.441
C1	C2	H7	112.042	C1	O3	H8	108.444
C2	C1	O3	113.517	C2	C1	H4	120.000
O3	C1	H4	116.427	H5	C2	H6	108.498
H5	C2	H7	107.355	H6	C2	H7	108.032

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

States and conformations

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