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	hartrees
Energy at 0K	-153.471343
Energy at 298.15K
HF Energy	-152.971072
Nuclear repulsion energy	69.914118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3005	10.45
2	A'	3093	2892	3.44
3	A'	3001	2807	102.89
4	A'	1879	1757	150.74
5	A'	1501	1404	17.71
6	A'	1482	1386	11.39
7	A'	1424	1332	15.56
8	A'	1161	1086	23.91
9	A'	917	857	5.97
10	A'	525	491	14.50
11	A"	3163	2958	10.19
12	A"	1497	1400	10.11
13	A"	1164	1088	0.01
14	A"	796	745	0.22
15	A"	157	146	1.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.463	0.000
C2	-0.931	-0.716	0.000
O3	1.199	0.381	0.000
H4	-0.487	1.453	0.000
H5	-0.366	-1.644	0.000
H6	-1.576	-0.671	0.879
H7	-1.576	-0.671	-0.879

	C1	C2	O3	H4	H5	H6	H7
C1		1.5028	1.2019	1.1035	2.1392	2.1314	2.1314
C2	1.5028		2.3962	2.2145	1.0867	1.0914	1.0914
O3	1.2019	2.3962		1.9984	2.5598	3.0953	3.0953
H4	1.1035	2.2145	1.9984		3.1001	2.5435	2.5435
H5	2.1392	1.0867	2.5598	3.1001		1.7848	1.7848
H6	2.1314	1.0914	3.0953	2.5435	1.7848		1.7586
H7	2.1314	1.0914	3.0953	2.5435	1.7848	1.7586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.378	C1	C2	H6	109.472
C1	C2	H7	109.472	C2	C1	O3	124.370
C2	C1	H4	115.501	O3	C1	H4	120.128
H5	C2	H6	110.060	H5	C2	H7	110.060
H6	C2	H7	107.343

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)