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	hartrees
Energy at 0K	-154.608703
Energy at 298.15K	-154.615418
HF Energy	-154.091431
Nuclear repulsion energy	81.550364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3887	3719	24.08
2	A'	3166	3029	27.21
3	A'	3076	2942	15.17
4	A'	3016	2886	68.20
5	A'	1539	1472	2.83
6	A'	1507	1441	4.03
7	A'	1490	1426	10.32
8	A'	1408	1347	0.71
9	A'	1306	1250	89.10
10	A'	1153	1103	32.94
11	A'	1067	1020	31.58
12	A'	926	886	8.94
13	A'	418	399	10.18
14	A"	3170	3032	29.10
15	A"	3052	2920	70.51
16	A"	1484	1419	4.24
17	A"	1311	1255	0.02
18	A"	1195	1143	5.16
19	A"	824	789	0.08
20	A"	303	290	91.20
21	A"	256	245	27.01

Atom	x (Å)	y (Å)	z (Å)
C1	1.169	-0.420	0.000
C2	0.000	0.557	0.000
O3	-1.197	-0.207	0.000
H4	-1.932	0.418	0.000
H5	2.131	0.121	0.000
H6	1.124	-1.065	0.894
H7	1.124	-1.065	-0.894
H8	0.060	1.213	0.894
H9	0.060	1.213	-0.894

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5230	2.3758	3.2116	1.1042	1.1038	1.1038	2.1669	2.1669
C2	1.5230		1.4199	1.9367	2.1752	2.1666	2.1666	1.1108	1.1108
O3	2.3758	1.4199		0.9637	3.3448	2.6320	2.6320	2.0964	2.0964
H4	3.2116	1.9367	0.9637		4.0737	3.5125	3.5125	2.3233	2.3233
H5	1.1042	2.1752	3.3448	4.0737		1.7950	1.7950	2.5064	2.5064
H6	1.1038	2.1666	2.6320	3.5125	1.7950		1.7887	2.5145	3.0858
H7	1.1038	2.1666	2.6320	3.5125	1.7950	1.7887		3.0858	2.5145
H8	2.1669	1.1108	2.0964	2.3233	2.5064	2.5145	3.0858		1.7886
H9	2.1669	1.1108	2.0964	2.3233	2.5064	3.0858	2.5145	1.7886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.612	C1	C2	H8	109.724
C1	C2	H9	109.724	C2	C1	H5	110.768
C2	C1	H6	110.116	C2	C1	H7	110.116
C2	O3	H4	107.121	O3	C2	H8	111.274
O3	C2	H9	111.274	H5	C1	H6	108.771
H5	C1	H7	108.771	H6	C1	H7	108.240
H8	C2	H9	107.234

All results from a given calculation for CH₃CH₂OH (Ethanol)

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

using model chemistry: CCD/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)