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	hartrees
Energy at 0K	-153.602576
Energy at 298.15K
HF Energy	-152.975593
Nuclear repulsion energy	69.406639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3152	3068
2	A	3103	3020
3	A	3031	2950
4	A	2904	2826
5	A	1730	1684
6	A	1483	1443
7	A	1470	1431
8	A	1408	1370
9	A	1383	1346
10	A	1131	1101
11	A	1123	1093
12	A	890	866
13	A	769	748
14	A	498	484
15	A	144	140

Atom	x (Å)	y (Å)	z (Å)
C1	0.228	0.403	0.000
C2	-1.171	-0.151	0.000
O3	1.240	-0.277	-0.000
H4	0.302	1.510	0.000
H5	-1.152	-1.240	0.001
H6	-1.706	0.219	0.880
H7	-1.706	0.217	-0.881

	C1	C2	O3	H4	H5	H6	H7
C1		1.5051	1.2195	1.1092	2.1464	2.1332	2.1332
C2	1.5051		2.4146	2.2200	1.0894	1.0943	1.0943
O3	1.2195	2.4146		2.0186	2.5790	3.1149	3.1142
H4	1.1092	2.2200	2.0186		3.1110	2.5442	2.5450
H5	2.1464	1.0894	2.5790	3.1110		1.7913	1.7913
H6	2.1332	1.0943	3.1149	2.5442	1.7913		1.7607
H7	2.1332	1.0943	3.1142	2.5450	1.7913	1.7607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.612	C1	C2	H6	109.281
C1	C2	H7	109.281	C2	C1	O3	124.474
C2	C1	H4	115.411	O3	C1	H4	120.116
H5	C2	H6	110.233	H5	C2	H7	110.233
H6	C2	H7	107.126

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP4/aug-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: MP4/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)