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	hartrees
Energy at 0K	-153.569347
Energy at 298.15K
HF Energy	-152.977768
Nuclear repulsion energy	69.954863

Atom	x (Å)	y (Å)	z (Å)
C1	0.234	0.399	0.000
C2	-1.164	-0.147	0.000
O3	1.226	-0.278	0.000
H4	0.317	1.500	0.000
H5	-1.149	-1.233	-0.000
H6	-1.697	0.222	0.877
H7	-1.697	0.222	-0.877

	C1	C2	O3	H4	H5	H6	H7
C1		1.5010	1.2017	1.1033	2.1391	2.1285	2.1285
C2	1.5010		2.3941	2.2149	1.0858	1.0909	1.0909
O3	1.2017	2.3941		1.9967	2.5598	3.0932	3.0932
H4	1.1033	2.2149	1.9967		3.1007	2.5416	2.5416
H5	2.1391	1.0858	2.5598	3.1007		1.7852	1.7852
H6	2.1285	1.0909	3.0932	2.5416	1.7852		1.7544
H7	2.1285	1.0909	3.0932	2.5416	1.7852	1.7544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.537	C1	C2	H6	109.390
C1	C2	H7	109.390	C2	C1	O3	124.329
C2	C1	H4	115.682	O3	C1	H4	119.989
H5	C2	H6	110.202	H5	C2	H7	110.202
H6	C2	H7	107.050

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP3/daug-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: MP3/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)