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	hartrees
Energy at 0K	-153.412281
Energy at 298.15K
HF Energy	-152.928138
Nuclear repulsion energy	69.470129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	3027	7.89
2	A'	3093	2908	3.08
3	A'	2976	2798	120.62
4	A'	1896	1783	142.58
5	A'	1470	1382	15.88
6	A'	1452	1365	15.30
7	A'	1390	1307	13.66
8	A'	1143	1075	23.02
9	A'	916	861	4.31
10	A'	511	481	14.53
11	A"	3174	2985	8.34
12	A"	1481	1392	9.19
13	A"	1146	1078	0.23
14	A"	786	739	0.56
15	A"	171	160	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.466	0.000
C2	-0.932	-0.724	0.000
O3	1.204	0.389	0.000
H4	-0.508	1.462	0.000
H5	-0.354	-1.659	0.000
H6	-1.586	-0.683	0.888
H7	-1.586	-0.683	-0.888

	C1	C2	O3	H4	H5	H6	H7
C1		1.5117	1.2060	1.1187	2.1539	2.1501	2.1501
C2	1.5117		2.4088	2.2275	1.0990	1.1031	1.1031
O3	1.2060	2.4088		2.0200	2.5734	3.1175	3.1175
H4	1.1187	2.2275	2.0200		3.1251	2.5600	2.5600
H5	2.1539	1.0990	2.5734	3.1251		1.8047	1.8047
H6	2.1501	1.1031	3.1175	2.5600	1.8047		1.7756
H7	2.1501	1.1031	3.1175	2.5600	1.8047	1.7756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.183	C1	C2	H6	109.634
C1	C2	H7	109.634	C2	C1	O3	124.453
C2	C1	H4	114.920	O3	C1	H4	120.628
H5	C2	H6	110.079	H5	C2	H7	110.079
H6	C2	H7	107.181

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP3=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)