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	hartrees
Energy at 0K	-154.547773
Energy at 298.15K	-154.554514
HF Energy	-154.074293
Nuclear repulsion energy	81.677163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3789	3586	15.98
2	A'	3169	2999	25.87
3	A'	3087	2922	12.95
4	A'	3032	2870	58.68
5	A'	1589	1504	2.11
6	A'	1554	1471	3.35
7	A'	1513	1432	14.32
8	A'	1453	1375	1.19
9	A'	1322	1251	93.81
10	A'	1154	1092	23.62
11	A'	1081	1023	43.30
12	A'	937	886	8.40
13	A'	426	404	12.43
14	A"	3178	3008	27.16
15	A"	3066	2902	62.68
16	A"	1537	1455	4.62
17	A"	1332	1261	0.08
18	A"	1221	1156	5.17
19	A"	843	798	0.00
20	A"	314	298	117.48
21	A"	261	247	24.29

Atom	x (Å)	y (Å)	z (Å)
C1	1.169	-0.410	0.000
C2	0.000	0.558	0.000
O3	-1.194	-0.216	0.000
H4	-1.951	0.387	0.000
H5	2.121	0.135	0.000
H6	1.128	-1.049	0.888
H7	1.128	-1.049	-0.888
H8	0.055	1.208	0.889
H9	0.055	1.208	-0.889

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5176	2.3710	3.2204	1.0966	1.0954	1.0954	2.1564	2.1564
C2	1.5176		1.4226	1.9587	2.1627	2.1548	2.1548	1.1027	1.1027
O3	2.3710	1.4226		0.9679	3.3333	2.6218	2.6218	2.0921	2.0921
H4	3.2204	1.9587	0.9679		4.0800	3.5117	3.5117	2.3427	2.3427
H5	1.0966	2.1627	3.3333	4.0800		1.7826	1.7826	2.4923	2.4923
H6	1.0954	2.1548	2.6218	3.5117	1.7826		1.7768	2.4996	3.0669
H7	1.0954	2.1548	2.6218	3.5117	1.7826	1.7768		3.0669	2.4996
H8	2.1564	1.1027	2.0921	2.3427	2.4923	2.4996	3.0669		1.7772
H9	2.1564	1.1027	2.0921	2.3427	2.4923	3.0669	2.4996	1.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.449	C1	C2	H8	109.752
C1	C2	H9	109.752	C2	C1	H5	110.616
C2	C1	H6	110.064	C2	C1	H7	110.064
C2	O3	H4	108.540	O3	C2	H8	111.253
O3	C2	H9	111.253	H5	C1	H6	108.824
H5	C1	H7	108.824	H6	C1	H7	108.399
H8	C2	H9	107.386

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: CCD/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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All results from a given calculation for CH3CH2OH (Ethanol)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)