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	hartrees
Energy at 0K	-153.556654
Energy at 298.15K	-153.563339
HF Energy	-153.220143
Nuclear repulsion energy	80.380733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3464	3358	2.56
2	A'	3111	3015	24.73
3	A'	3042	2948	11.54
4	A'	2984	2893	46.18
5	A'	1611	1562	2.26
6	A'	1582	1533	4.90
7	A'	1486	1441	8.10
8	A'	1472	1426	5.37
9	A'	1305	1265	68.88
10	A'	1119	1085	0.07
11	A'	999	969	50.86
12	A'	889	861	5.50
13	A'	397	384	14.65
14	A"	3118	3022	27.91
15	A"	3008	2915	63.30
16	A"	1564	1516	3.74
17	A"	1337	1296	1.04
18	A"	1198	1162	4.07
19	A"	863	836	0.00
20	A"	315	305	133.46
21	A"	244	237	13.92

Atom	x (Å)	y (Å)	z (Å)
C1	1.190	-0.390	0.000
C2	0.000	0.588	0.000
O3	-1.206	-0.262	0.000
H4	-1.998	0.338	0.000
H5	2.143	0.157	0.000
H6	1.135	-1.028	0.891
H7	1.135	-1.028	-0.891
H8	0.043	1.235	0.893
H9	0.043	1.235	-0.893

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5406	2.3994	3.2707	1.0986	1.0973	1.0973	2.1804	2.1804
C2	1.5406		1.4748	2.0136	2.1860	2.1664	2.1664	1.1034	1.1034
O3	2.3994	1.4748		0.9942	3.3747	2.6190	2.6190	2.1438	2.1438
H4	3.2707	2.0136	0.9942		4.1452	3.5324	3.5324	2.4015	2.4015
H5	1.0986	2.1860	3.3747	4.1452		1.7929	1.7929	2.5237	2.5237
H6	1.0973	2.1664	2.6190	3.5324	1.7929		1.7822	2.5127	3.0814
H7	1.0973	2.1664	2.6190	3.5324	1.7929	1.7822		3.0814	2.5127
H8	2.1804	1.1034	2.1438	2.4015	2.5237	2.5127	3.0814		1.7854
H9	2.1804	1.1034	2.1438	2.4015	2.5237	3.0814	2.5127	1.7854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.422	C1	C2	H8	110.005
C1	C2	H9	110.005	C2	C1	H5	110.729
C2	C1	H6	109.268	C2	C1	H7	109.268
C2	O3	H4	107.692	O3	C2	H8	111.702
O3	C2	H9	111.702	H5	C1	H6	109.471
H5	C1	H7	109.471	H6	C1	H7	108.599
H8	C2	H9	108.001

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)