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	hartrees
Energy at 0K	-153.580815
Energy at 298.15K	-153.575953
HF Energy	-152.915702
Nuclear repulsion energy	70.308783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	3308	16.01
2	A'	3190	3190	7.08
3	A'	3123	3123	121.36
4	A'	2028	2028	238.95
5	A'	1598	1598	15.90
6	A'	1555	1555	19.75
7	A'	1519	1519	7.72
8	A'	1223	1223	27.50
9	A'	956	956	4.46
10	A'	543	543	19.68
11	A"	3251	3251	17.49
12	A"	1607	1607	8.02
13	A"	1256	1256	1.62
14	A"	847	847	0.04
15	A"	161	161	1.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.464	0.000
C2	-0.915	-0.734	0.000
O3	1.182	0.405	0.000
H4	-0.507	1.440	0.000
H5	-0.336	-1.650	0.000
H6	-1.561	-0.703	0.877
H7	-1.561	-0.703	-0.877

	C1	C2	O3	H4	H5	H6	H7
C1		1.5070	1.1834	1.0995	2.1406	2.1371	2.1371
C2	1.5070		2.3860	2.2112	1.0844	1.0892	1.0892
O3	1.1834	2.3860		1.9805	2.5547	3.0853	3.0853
H4	1.0995	2.2112	1.9805		3.0945	2.5441	2.5441
H5	2.1406	1.0844	2.5547	3.0945		1.7792	1.7792
H6	2.1371	1.0892	3.0853	2.5441	1.7792		1.7535
H7	2.1371	1.0892	3.0853	2.5441	1.7792	1.7535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.321	C1	C2	H6	109.756
C1	C2	H7	109.756	C2	C1	O3	124.525
C2	C1	H4	115.170	O3	C1	H4	120.305
H5	C2	H6	109.875	H5	C2	H7	109.875
H6	C2	H7	107.202

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)