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	hartrees
Energy at 0K	-153.574348
Energy at 298.15K
HF Energy	-152.977303
Nuclear repulsion energy	69.787144

Atom	x (Å)	y (Å)	z (Å)
C1	0.232	0.400	0.000
C2	-1.166	-0.148	0.000
O3	1.230	-0.278	0.000
H4	0.313	1.503	0.000
H5	-1.150	-1.235	-0.000
H6	-1.700	0.221	0.879
H7	-1.700	0.221	-0.879

	C1	C2	O3	H4	H5	H6	H7
C1		1.5022	1.2069	1.1052	2.1415	2.1303	2.1303
C2	1.5022		2.4003	2.2165	1.0873	1.0923	1.0923
O3	1.2069	2.4003		2.0030	2.5658	3.0999	3.0999
H4	1.1052	2.2165	2.0030		3.1042	2.5432	2.5432
H5	2.1415	1.0873	2.5658	3.1042		1.7874	1.7874
H6	2.1303	1.0923	3.0999	2.5432	1.7874		1.7574
H7	2.1303	1.0923	3.0999	2.5432	1.7874	1.7574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.558	C1	C2	H6	109.371
C1	C2	H7	109.371	C2	C1	O3	124.390
C2	C1	H4	115.603	O3	C1	H4	120.006
H5	C2	H6	110.178	H5	C2	H7	110.178
H6	C2	H7	107.116

All results from a given calculation for CH₃CHO (Acetaldehyde)

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

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)