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	hartrees
Energy at 0K	-153.695984
Energy at 298.15K
HF Energy	-152.986846
Nuclear repulsion energy	70.126162

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.461	0.000
C2	-0.929	-0.711	0.000
O3	1.197	0.377	0.000
H4	-0.485	1.450	0.000
H5	-0.370	-1.639	0.000
H6	-1.573	-0.663	0.875
H7	-1.573	-0.663	-0.875

	C1	C2	O3	H4	H5	H6	H7
C1		1.4955	1.1998	1.1016	2.1321	2.1224	2.1224
C2	1.4955		2.3883	2.2063	1.0832	1.0879	1.0879
O3	1.1998	2.3883		1.9947	2.5534	3.0860	3.0860
H4	1.1016	2.2063	1.9947		3.0910	2.5327	2.5327
H5	2.1321	1.0832	2.5534	3.0910		1.7796	1.7796
H6	2.1224	1.0879	3.0860	2.5327	1.7796		1.7499
H7	2.1224	1.0879	3.0860	2.5327	1.7796	1.7499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.524	C1	C2	H6	109.468
C1	C2	H7	109.468	C2	C1	O3	124.413
C2	C1	H4	115.480	O3	C1	H4	120.107
H5	C2	H6	110.115	H5	C2	H7	110.115
H6	C2	H7	107.085

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCSD=FULL/cc-pVQZ

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=FULL/cc-pVQZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)