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	hartrees
Energy at 0K	-153.503458
Energy at 298.15K
HF Energy	-152.978262
Nuclear repulsion energy	70.271389

Atom	x (Å)	y (Å)	z (Å)
C1	0.234	0.396	0.000
C2	-1.160	-0.146	0.000
O3	1.221	-0.276	0.000
H4	0.315	1.492	0.000
H5	-1.148	-1.227	0.000
H6	-1.689	0.222	0.874
H7	-1.689	0.222	-0.874

	C1	C2	O3	H4	H5	H6	H7
C1		1.4959	1.1949	1.0986	2.1316	2.1195	2.1195
C2	1.4959		2.3851	2.2043	1.0808	1.0857	1.0857
O3	1.1949	2.3851		1.9873	2.5526	3.0796	3.0796
H4	1.0986	2.2043	1.9873		3.0873	2.5283	2.5283
H5	2.1316	1.0808	2.5526	3.0873		1.7766	1.7766
H6	2.1195	1.0857	3.0796	2.5283	1.7766		1.7471
H7	2.1195	1.0857	3.0796	2.5283	1.7766	1.7471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.601	C1	C2	H6	109.343
C1	C2	H7	109.343	C2	C1	O3	124.470
C2	C1	H4	115.488	O3	C1	H4	120.043
H5	C2	H6	110.172	H5	C2	H7	110.172
H6	C2	H7	107.139

All results from a given calculation for CH₃CHO (Acetaldehyde)

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

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)