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	hartrees
Energy at 0K	-153.587086
Energy at 298.15K
HF Energy	-152.974065
Nuclear repulsion energy	69.577064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3155	2993
2	A	3104	2944
3	A	3036	2880
4	A	2915	2765
5	A	1790	1698
6	A	1481	1405
7	A	1470	1394
8	A	1430	1356
9	A	1382	1311
10	A	1134	1075
11	A	1132	1074
12	A	895	849
13	A	777	737
14	A	503	477
15	A	159	150

Atom	x (Å)	y (Å)	z (Å)
C1	0.232	0.402	-0.000
C2	-1.170	-0.149	-0.000
O3	1.235	-0.278	0.000
H4	0.304	1.508	-0.000
H5	-1.149	-1.238	-0.000
H6	-1.705	0.218	0.880
H7	-1.706	0.218	-0.879

	C1	C2	O3	H4	H5	H6	H7
C1		1.5060	1.2122	1.1079	2.1436	2.1355	2.1355
C2	1.5060		2.4085	2.2177	1.0886	1.0935	1.0935
O3	1.2122	2.4085		2.0136	2.5701	3.1093	3.1094
H4	1.1079	2.2177	2.0136		3.1062	2.5449	2.5447
H5	2.1436	1.0886	2.5701	3.1062		1.7896	1.7896
H6	2.1355	1.0935	3.1093	2.5449	1.7896		1.7590
H7	2.1355	1.0935	3.1094	2.5447	1.7896	1.7590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.379	C1	C2	H6	109.449
C1	C2	H7	109.449	C2	C1	O3	124.405
C2	C1	H4	115.235	O3	C1	H4	120.359
H5	C2	H6	110.204	H5	C2	H7	110.204
H6	C2	H7	107.092

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)