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	hartrees
Energy at 0K	-153.436758
Energy at 298.15K
HF Energy	-152.949927
Nuclear repulsion energy	69.556650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3013	11.53
2	A'	3044	2902	4.06
3	A'	2938	2801	121.31
4	A'	1842	1756	138.34
5	A'	1499	1430	21.18
6	A'	1454	1386	16.03
7	A'	1418	1352	18.44
8	A'	1154	1100	22.61
9	A'	911	868	4.85
10	A'	516	492	14.23
11	A"	3111	2966	12.15
12	A"	1501	1432	12.15
13	A"	1154	1100	0.19
14	A"	789	753	0.84
15	A"	153	146	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.466	0.000
C2	-0.936	-0.720	0.000
O3	1.205	0.384	0.000
H4	-0.491	1.463	0.000
H5	-0.361	-1.649	0.000
H6	-1.586	-0.682	0.883
H7	-1.586	-0.682	-0.883

	C1	C2	O3	H4	H5	H6	H7
C1		1.5101	1.2074	1.1120	2.1455	2.1473	2.1473
C2	1.5101		2.4083	2.2275	1.0925	1.0973	1.0973
O3	1.2074	2.4083		2.0101	2.5668	3.1150	3.1150
H4	1.1120	2.2275	2.0101		3.1151	2.5646	2.5646
H5	2.1455	1.0925	2.5668	3.1151		1.7931	1.7931
H6	2.1473	1.0973	3.1150	2.5646	1.7931		1.7662
H7	2.1473	1.0973	3.1150	2.5646	1.7931	1.7662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.014	C1	C2	H6	109.870
C1	C2	H7	109.870	C2	C1	O3	124.425
C2	C1	H4	115.489	O3	C1	H4	120.086
H5	C2	H6	109.933	H5	C2	H7	109.933
H6	C2	H7	107.176

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCSD/6-311G*

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 CH3CHO (Acetaldehyde)

using model chemistry: CCSD/6-311G*

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)