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	hartrees
Energy at 0K	-153.405474
Energy at 298.15K
HF Energy	-152.928020
Nuclear repulsion energy	69.423524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3046	8.09
2	A'	3087	2926	3.17
3	A'	2971	2816	121.10
4	A'	1894	1795	142.46
5	A'	1467	1391	15.76
6	A'	1450	1374	15.25
7	A'	1389	1316	13.41
8	A'	1141	1082	23.08
9	A'	914	866	4.34
10	A'	510	484	14.52
11	A"	3168	3003	8.58
12	A"	1478	1401	9.10
13	A"	1145	1085	0.22
14	A"	785	744	0.54
15	A"	170	161	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.466	0.000
C2	-0.933	-0.725	0.000
O3	1.204	0.390	0.000
H4	-0.509	1.464	0.000
H5	-0.354	-1.660	0.000
H6	-1.587	-0.684	0.889
H7	-1.587	-0.684	-0.889

	C1	C2	O3	H4	H5	H6	H7
C1		1.5130	1.2064	1.1197	2.1556	2.1520	2.1520
C2	1.5130		2.4102	2.2294	1.0999	1.1042	1.1042
O3	1.2064	2.4102		2.0214	2.5748	3.1196	3.1196
H4	1.1197	2.2294	2.0214		3.1277	2.5622	2.5622
H5	2.1556	1.0999	2.5748	3.1277		1.8065	1.8065
H6	2.1520	1.1042	3.1196	2.5622	1.8065		1.7774
H7	2.1520	1.1042	3.1196	2.5622	1.8065	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.168	C1	C2	H6	109.630
C1	C2	H7	109.630	C2	C1	O3	124.437
C2	C1	H4	114.918	O3	C1	H4	120.645
H5	C2	H6	110.087	H5	C2	H7	110.087
H6	C2	H7	107.189

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP3/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/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)