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	hartrees
Energy at 0K	-152.373003
Energy at 298.15K
HF Energy	-152.053449
Nuclear repulsion energy	68.769963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3178	9.87
2	A'	3075	3075	1.96
3	A'	2981	2981	102.98
4	A'	1757	1757	56.21
5	A'	1561	1561	17.69
6	A'	1490	1490	4.27
7	A'	1465	1465	26.78
8	A'	1152	1152	25.86
9	A'	892	892	9.69
10	A'	500	500	11.94
11	A"	3131	3131	8.62
12	A"	1572	1572	11.97
13	A"	1182	1182	0.30
14	A"	829	829	2.54
15	A"	171	171	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.469	0.000
C2	-0.959	-0.714	0.000
O3	1.231	0.375	0.000
H4	-0.497	1.454	0.000
H5	-0.385	-1.644	0.000
H6	-1.603	-0.672	0.888
H7	-1.603	-0.672	-0.888

	C1	C2	O3	H4	H5	H6	H7
C1		1.5233	1.2343	1.1031	2.1478	2.1588	2.1588
C2	1.5233		2.4458	2.2167	1.0928	1.0973	1.0973
O3	1.2343	2.4458		2.0373	2.5856	3.1487	3.1487
H4	1.1031	2.2167	2.0373		3.0998	2.5555	2.5555
H5	2.1478	1.0928	2.5856	3.0998		1.7932	1.7932
H6	2.1588	1.0973	3.1487	2.5555	1.7932		1.7753
H7	2.1588	1.0973	3.1487	2.5555	1.7932	1.7753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.263	C1	C2	H6	109.863
C1	C2	H7	109.863	C2	C1	O3	124.643
C2	C1	H4	114.174	O3	C1	H4	121.183
H5	C2	H6	109.925	H5	C2	H7	109.925
H6	C2	H7	107.985

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP3=FULL/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 CH3CHO (Acetaldehyde)

using model chemistry: MP3=FULL/3-21G

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)