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	hartrees
Energy at 0K	-153.454772
Energy at 298.15K
HF Energy	-152.949107
Nuclear repulsion energy	69.329533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3141	3024
2	A	3090	2975
3	A	3022	2909
4	A	2896	2788
5	A	1794	1727
6	A	1492	1436
7	A	1489	1434
8	A	1437	1383
9	A	1403	1351
10	A	1141	1099
11	A	1136	1094
12	A	897	863
13	A	777	748
14	A	508	489
15	A	150	144

Atom	x (Å)	y (Å)	z (Å)
C1	0.235	0.403	0.000
C2	-1.175	-0.148	0.000
O3	1.239	-0.279	-0.000
H4	0.313	1.515	0.000
H5	-1.149	-1.242	0.001
H6	-1.716	0.217	0.884
H7	-1.716	0.216	-0.885

	C1	C2	O3	H4	H5	H6	H7
C1		1.5136	1.2134	1.1151	2.1491	2.1504	2.1504
C2	1.5136		2.4173	2.2316	1.0942	1.0991	1.0991
O3	1.2134	2.4173		2.0187	2.5743	3.1242	3.1238
H4	1.1151	2.2316	2.0187		3.1204	2.5665	2.5670
H5	2.1491	1.0942	2.5743	3.1204		1.7972	1.7972
H6	2.1504	1.0991	3.1242	2.5665	1.7972		1.7692
H7	2.1504	1.0991	3.1238	2.5670	1.7972	1.7692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.955	C1	C2	H6	109.771
C1	C2	H7	109.771	C2	C1	O3	124.490
C2	C1	H4	115.352	O3	C1	H4	120.158
H5	C2	H6	110.051	H5	C2	H7	110.051
H6	C2	H7	107.200

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: QCISD(T)/6-311G*

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)/6-311G*

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)