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	hartrees
Energy at 0K	-154.604427
Energy at 298.15K	-154.611159
HF Energy	-154.089177
Nuclear repulsion energy	81.849120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3908	3679	14.50
2	A'	3199	3012	30.73
3	A'	3115	2932	15.00
4	A'	3057	2877	65.47
5	A'	1594	1501	3.10
6	A'	1560	1469	2.25
7	A'	1514	1425	15.76
8	A'	1454	1369	0.02
9	A'	1311	1235	86.69
10	A'	1148	1080	21.26
11	A'	1076	1013	49.24
12	A'	933	879	10.64
13	A'	424	399	11.23
14	A"	3208	3020	32.54
15	A"	3091	2910	69.53
16	A"	1544	1453	3.06
17	A"	1335	1257	0.02
18	A"	1222	1151	4.94
19	A"	841	792	0.15
20	A"	304	286	97.84
21	A"	260	245	36.30

Atom	x (Å)	y (Å)	z (Å)
C1	1.171	-0.405	0.000
C2	0.000	0.558	0.000
O3	-1.194	-0.221	0.000
H4	-1.942	0.385	0.000
H5	2.116	0.139	0.000
H6	1.131	-1.041	0.884
H7	1.131	-1.041	-0.884
H8	0.046	1.206	0.884
H9	0.046	1.206	-0.884

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5160	2.3718	3.2109	1.0908	1.0896	1.0896	2.1545	2.1545
C2	1.5160		1.4258	1.9494	2.1572	2.1490	2.1490	1.0969	1.0969
O3	2.3718	1.4258		0.9622	3.3296	2.6191	2.6191	2.0870	2.0870
H4	3.2109	1.9494	0.9622		4.0651	3.5008	3.5008	2.3252	2.3252
H5	1.0908	2.1572	3.3296	4.0651		1.7731	1.7731	2.4909	2.4909
H6	1.0896	2.1490	2.6191	3.5008	1.7731		1.7678	2.4952	3.0581
H7	1.0896	2.1490	2.6191	3.5008	1.7731	1.7678		3.0581	2.4952
H8	2.1545	1.0969	2.0870	2.3252	2.4909	2.4952	3.0581		1.7681
H9	2.1545	1.0969	2.0870	2.3252	2.4909	3.0581	2.4952	1.7681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.420	C1	C2	H8	110.050
C1	C2	H9	110.050	C2	C1	H5	110.624
C2	C1	H6	110.048	C2	C1	H7	110.048
C2	O3	H4	107.858	O3	C2	H8	110.968
O3	C2	H9	110.968	H5	C1	H6	108.818
H5	C1	H7	108.818	H6	C1	H7	108.436
H8	C2	H9	107.401

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)