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	hartrees
Energy at 0K	-154.692363
Energy at 298.15K	-154.699060
HF Energy	-154.098787
Nuclear repulsion energy	81.958445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3909	3704	23.44
2	A'	3175	3008	22.17
3	A'	3092	2929	11.62
4	A'	3036	2877	54.99
5	A'	1568	1486	2.09
6	A'	1533	1453	2.21
7	A'	1496	1418	12.10
8	A'	1429	1354	1.33
9	A'	1308	1239	82.38
10	A'	1148	1088	29.13
11	A'	1064	1008	38.87
12	A'	925	876	7.47
13	A'	417	396	10.41
14	A"	3180	3012	23.63
15	A"	3069	2908	52.99
16	A"	1515	1435	3.85
17	A"	1322	1253	0.00
18	A"	1208	1145	4.65
19	A"	828	784	0.01
20	A"	297	281	90.06
21	A"	249	235	27.60

Atom	x (Å)	y (Å)	z (Å)
C1	1.163	-0.418	0.000
C2	0.000	0.558	0.000
O3	-1.190	-0.208	0.000
H4	-1.931	0.398	0.000
H5	2.115	0.120	0.000
H6	1.120	-1.055	0.885
H7	1.120	-1.055	-0.885
H8	0.060	1.206	0.885
H9	0.060	1.206	-0.885

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5181	2.3632	3.1996	1.0927	1.0921	1.0921	2.1536	2.1536
C2	1.5181		1.4153	1.9372	2.1598	2.1545	2.1545	1.0989	1.0989
O3	2.3632	1.4153		0.9563	3.3215	2.6158	2.6158	2.0845	2.0845
H4	3.1996	1.9372	0.9563		4.0551	3.4935	3.4935	2.3233	2.3233
H5	1.0927	2.1598	3.3215	4.0551		1.7759	1.7759	2.4877	2.4877
H6	1.0921	2.1545	2.6158	3.4935	1.7759		1.7707	2.4979	3.0619
H7	1.0921	2.1545	2.6158	3.4935	1.7759	1.7707		3.0619	2.4979
H8	2.1536	1.0989	2.0845	2.3233	2.4877	2.4979	3.0619		1.7710
H9	2.1536	1.0989	2.0845	2.3233	2.4877	3.0619	2.4979	1.7710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.281	C1	C2	H8	109.716
C1	C2	H9	109.716	C2	C1	H5	110.578
C2	C1	H6	110.188	C2	C1	H7	110.188
C2	O3	H4	107.970	O3	C2	H8	111.382
O3	C2	H9	111.382	H5	C1	H6	108.753
H5	C1	H7	108.753	H6	C1	H7	108.326
H8	C2	H9	107.367

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: QCISD/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 CH3CH2OH (Ethanol)

using model chemistry: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)