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	hartrees
Energy at 0K	-153.502207
Energy at 298.15K
HF Energy	-152.969088
Nuclear repulsion energy	69.349188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3171	3053
2	A	3123	3008
3	A	3049	2936
4	A	2921	2813
5	A	1737	1672
6	A	1482	1427
7	A	1482	1427
8	A	1442	1388
9	A	1402	1350
10	A	1141	1098
11	A	1134	1092
12	A	892	859
13	A	779	750
14	A	509	490
15	A	151	146

Atom	x (Å)	y (Å)	z (Å)
C1	0.229	0.403	0.000
C2	-1.173	-0.150	0.000
O3	1.241	-0.278	-0.000
H4	0.300	1.511	0.000
H5	-1.152	-1.240	0.000
H6	-1.708	0.216	0.882
H7	-1.708	0.216	-0.882

	C1	C2	O3	H4	H5	H6	H7
C1		1.5079	1.2196	1.1097	2.1468	2.1367	2.1367
C2	1.5079		2.4180	2.2202	1.0902	1.0947	1.0947
O3	1.2196	2.4180		2.0208	2.5795	3.1175	3.1175
H4	1.1097	2.2202	2.0208		3.1105	2.5464	2.5466
H5	2.1468	1.0902	2.5795	3.1105		1.7914	1.7914
H6	2.1367	1.0947	3.1175	2.5464	1.7914		1.7647
H7	2.1367	1.0947	3.1175	2.5466	1.7914	1.7647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.401	C1	C2	H6	109.338
C1	C2	H7	109.338	C2	C1	O3	124.539
C2	C1	H4	115.182	O3	C1	H4	120.280
H5	C2	H6	110.145	H5	C2	H7	110.145
H6	C2	H7	107.415

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP4/TZVP

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: MP4/TZVP

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)