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	hartrees
Energy at 0K	-153.467139
Energy at 298.15K
HF Energy	-152.956398
Nuclear repulsion energy	69.565258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3174	11.55
2	A'	3057	3057	4.15
3	A'	2944	2944	122.04
4	A'	1842	1842	139.49
5	A'	1489	1489	16.24
6	A'	1455	1455	14.23
7	A'	1406	1406	13.68
8	A'	1148	1148	23.15
9	A'	907	907	5.28
10	A'	513	513	14.47
11	A"	3126	3126	12.35
12	A"	1497	1497	9.22
13	A"	1149	1149	0.09
14	A"	790	790	0.25
15	A"	157	157	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.466	0.000
C2	-0.934	-0.722	0.000
O3	1.204	0.386	0.000
H4	-0.500	1.459	0.000
H5	-0.359	-1.651	0.000
H6	-1.582	-0.680	0.884
H7	-1.582	-0.680	-0.884

	C1	C2	O3	H4	H5	H6	H7
C1		1.5119	1.2066	1.1112	2.1474	2.1443	2.1443
C2	1.5119		2.4086	2.2238	1.0923	1.0969	1.0969
O3	1.2066	2.4086		2.0132	2.5679	3.1114	3.1114
H4	1.1112	2.2238	2.0132		3.1127	2.5544	2.5544
H5	2.1474	1.0923	2.5679	3.1127		1.7947	1.7947
H6	2.1443	1.0969	3.1114	2.5544	1.7947		1.7680
H7	2.1443	1.0969	3.1114	2.5544	1.7947	1.7680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.056	C1	C2	H6	109.539
C1	C2	H7	109.539	C2	C1	O3	124.377
C2	C1	H4	115.086	O3	C1	H4	120.538
H5	C2	H6	110.130	H5	C2	H7	110.130
H6	C2	H7	107.402

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)