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	hartrees
Energy at 0K	-153.586331
Energy at 298.15K
HF Energy	-152.974139
Nuclear repulsion energy	69.598593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3156	3076
2	A	3105	3027
3	A	3037	2961
4	A	2919	2845
5	A	1793	1748
6	A	1481	1444
7	A	1470	1433
8	A	1431	1395
9	A	1383	1348
10	A	1135	1106
11	A	1133	1104
12	A	896	873
13	A	778	758
14	A	504	491
15	A	159	155

Atom	x (Å)	y (Å)	z (Å)
C1	0.232	0.402	-0.000
C2	-1.169	-0.149	-0.000
O3	1.235	-0.278	0.000
H4	0.305	1.507	-0.000
H5	-1.148	-1.238	-0.000
H6	-1.705	0.218	0.880
H7	-1.705	0.218	-0.879

	C1	C2	O3	H4	H5	H6	H7
C1		1.5057	1.2116	1.1076	2.1433	2.1353	2.1353
C2	1.5057		2.4075	2.2174	1.0885	1.0934	1.0934
O3	1.2116	2.4075		2.0127	2.5693	3.1084	3.1085
H4	1.1076	2.2174	2.0127		3.1058	2.5448	2.5446
H5	2.1433	1.0885	2.5693	3.1058		1.7894	1.7894
H6	2.1353	1.0934	3.1084	2.5448	1.7894		1.7588
H7	2.1353	1.0934	3.1085	2.5446	1.7894	1.7588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.381	C1	C2	H6	109.456
C1	C2	H7	109.456	C2	C1	O3	124.393
C2	C1	H4	115.254	O3	C1	H4	120.352
H5	C2	H6	110.197	H5	C2	H7	110.197
H6	C2	H7	107.090

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCSD(T)/cc-pVTZ

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(T)/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)