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	hartrees
Energy at 0K	-154.562263
Energy at 298.15K	-154.569002
HF Energy	-154.074238
Nuclear repulsion energy	81.698423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3769	3580	13.92
2	A'	3159	3000	27.67
3	A'	3081	2926	13.56
4	A'	3023	2871	60.83
5	A'	1588	1508	2.22
6	A'	1553	1475	3.19
7	A'	1511	1435	14.51
8	A'	1452	1379	1.02
9	A'	1319	1253	92.15
10	A'	1149	1091	22.76
11	A'	1079	1025	45.23
12	A'	935	888	9.27
13	A'	426	405	12.32
14	A"	3168	3009	28.95
15	A"	3054	2901	65.28
16	A"	1536	1459	4.51
17	A"	1330	1263	0.09
18	A"	1219	1158	5.07
19	A"	843	800	0.00
20	A"	315	299	115.57
21	A"	261	248	25.30

Atom	x (Å)	y (Å)	z (Å)
C1	1.168	-0.409	0.000
C2	0.000	0.558	0.000
O3	-1.193	-0.217	0.000
H4	-1.951	0.385	0.000
H5	2.120	0.136	0.000
H6	1.127	-1.048	0.888
H7	1.127	-1.048	-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		1.5161	2.3686	3.2186	1.0966	1.0954	1.0954	2.1550	2.1550
C2	1.5161		1.4224	1.9586	2.1615	2.1536	2.1536	1.1027	1.1027
O3	2.3686	1.4224		0.9686	3.3314	2.6191	2.6191	2.0925	2.0925
H4	3.2186	1.9586	0.9686		4.0785	3.5095	3.5095	2.3432	2.3432
H5	1.0966	2.1615	3.3314	4.0785		1.7826	1.7826	2.4908	2.4908
H6	1.0954	2.1536	2.6191	3.5095	1.7826		1.7769	2.4982	3.0658
H7	1.0954	2.1536	2.6191	3.5095	1.7826	1.7769		3.0658	2.4982
H8	2.1550	1.1027	2.0925	2.3432	2.4908	2.4982	3.0658		1.7773
H9	2.1550	1.1027	2.0925	2.3432	2.4908	3.0658	2.4982	1.7773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.381	C1	C2	H8	109.743
C1	C2	H9	109.743	C2	C1	H5	110.615
C2	C1	H6	110.061	C2	C1	H7	110.061
C2	O3	H4	108.510	O3	C2	H8	111.297
O3	C2	H9	111.297	H5	C1	H6	108.825
H5	C1	H7	108.825	H6	C1	H7	108.404
H8	C2	H9	107.384

All results from a given calculation for CH₃CH₂OH (Ethanol)

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)