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	hartrees
Energy at 0K	-154.550682
Energy at 298.15K	-154.557416
HF Energy	-154.074152
Nuclear repulsion energy	81.636874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3767	3557	13.77
2	A'	3157	2981	27.88
3	A'	3079	2908	13.66
4	A'	3022	2854	60.78
5	A'	1587	1499	2.21
6	A'	1552	1465	3.19
7	A'	1510	1426	14.50
8	A'	1450	1370	0.94
9	A'	1319	1245	91.84
10	A'	1147	1083	22.48
11	A'	1078	1018	45.20
12	A'	933	881	9.42
13	A'	425	402	12.29
14	A"	3167	2990	29.19
15	A"	3054	2883	65.31
16	A"	1535	1450	4.44
17	A"	1328	1254	0.10
18	A"	1218	1150	5.01
19	A"	841	795	0.00
20	A"	314	296	115.28
21	A"	261	246	25.27

Atom	x (Å)	y (Å)	z (Å)
C1	1.169	-0.409	0.000
C2	0.000	0.558	0.000
O3	-1.194	-0.217	0.000
H4	-1.952	0.386	0.000
H5	2.121	0.136	0.000
H6	1.128	-1.049	0.889
H7	1.128	-1.049	-0.889
H8	0.055	1.209	0.889
H9	0.055	1.209	-0.889

	C1	C2	O3	H4	H5	H6	H7	H8	H9
C1		1.5177	2.3712	3.2212	1.0970	1.0957	1.0957	2.1567	2.1567
C2	1.5177		1.4236	1.9596	2.1631	2.1553	2.1553	1.1031	1.1031
O3	2.3712	1.4236		0.9687	3.3342	2.6219	2.6219	2.0939	2.0939
H4	3.2212	1.9596	0.9687		4.0811	3.5123	3.5123	2.3443	2.3443
H5	1.0970	2.1631	3.3342	4.0811		1.7832	1.7832	2.4925	2.4925
H6	1.0957	2.1553	2.6219	3.5123	1.7832		1.7775	2.5001	3.0676
H7	1.0957	2.1553	2.6219	3.5123	1.7832	1.7775		3.0676	2.5001
H8	2.1567	1.1031	2.0939	2.3443	2.4925	2.5001	3.0676		1.7777
H9	2.1567	1.1031	2.0939	2.3443	2.4925	3.0676	2.5001	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.403	C1	C2	H8	109.742
C1	C2	H9	109.742	C2	C1	H5	110.610
C2	C1	H6	110.065	C2	C1	H7	110.065
C2	O3	H4	108.496	O3	C2	H8	111.296
O3	C2	H9	111.296	H5	C1	H6	108.824
H5	C1	H7	108.824	H6	C1	H7	108.405
H8	C2	H9	107.366

All results from a given calculation for CH₃CH₂OH (Ethanol)

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

States and conformations

All results from a given calculation for CH₃CH₂OH (Ethanol)