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	hartrees
Energy at 0K	-153.465288
Energy at 298.15K
HF Energy	-152.937108
Nuclear repulsion energy	68.950665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3143	3143
2	A	3091	3091
3	A	3017	3017
4	A	2917	2917
5	A	1754	1754
6	A	1452	1452
7	A	1443	1443
8	A	1403	1403
9	A	1360	1360
10	A	1121	1121
11	A	1109	1109
12	A	889	889
13	A	760	760
14	A	496	496
15	A	151	151

Atom	x (Å)	y (Å)	z (Å)
C1	0.232	0.405	-0.000
C2	-1.179	-0.151	-0.000
O3	1.246	-0.280	0.000
H4	0.311	1.522	-0.000
H5	-1.160	-1.252	-0.001
H6	-1.718	0.222	0.891
H7	-1.719	0.225	-0.889

	C1	C2	O3	H4	H5	H6	H7
C1		1.5163	1.2240	1.1195	2.1648	2.1513	2.1513
C2	1.5163		2.4279	2.2403	1.1012	1.1063	1.1063
O3	1.2240	2.4279		2.0304	2.5951	3.1352	3.1359
H4	1.1195	2.2403	2.0304		3.1404	2.5687	2.5678
H5	2.1648	1.1012	2.5951	3.1404		1.8116	1.8116
H6	2.1513	1.1063	3.1352	2.5687	1.8116		1.7803
H7	2.1513	1.1063	3.1359	2.5678	1.8116	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.586	C1	C2	H6	109.225
C1	C2	H7	109.225	C2	C1	O3	124.396
C2	C1	H4	115.588	O3	C1	H4	120.016
H5	C2	H6	110.297	H5	C2	H7	110.297
H6	C2	H7	107.137

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCSD(T)/daug-cc-pVDZ

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: CCSD(T)/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)