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	hartrees
Energy at 0K	-153.436246
Energy at 298.15K
HF Energy	-152.926738
Nuclear repulsion energy	69.097652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3179	3062
2	A	3131	3016
3	A	3050	2938
4	A	2915	2808
5	A	1805	1738
6	A	1468	1414
7	A	1456	1402
8	A	1424	1371
9	A	1373	1323
10	A	1127	1086
11	A	1122	1081
12	A	899	866
13	A	773	744
14	A	500	482
15	A	168	161

Atom	x (Å)	y (Å)	z (Å)
C1	0.234	0.404	0.000
C2	-1.176	-0.150	0.000
O3	1.242	-0.279	-0.000
H4	0.300	1.525	0.000
H5	-1.152	-1.252	0.000
H6	-1.719	0.220	0.890
H7	-1.718	0.219	-0.891

	C1	C2	O3	H4	H5	H6	H7
C1		1.5153	1.2174	1.1232	2.1592	2.1543	2.1543
C2	1.5153		2.4219	2.2328	1.1019	1.1063	1.1063
O3	1.2174	2.4219		2.0351	2.5844	3.1319	3.1318
H4	1.1232	2.2328	2.0351		3.1335	2.5638	2.5639
H5	2.1592	1.1019	2.5844	3.1335		1.8107	1.8107
H6	2.1543	1.1063	3.1319	2.5638	1.8107		1.7812
H7	2.1543	1.1063	3.1318	2.5639	1.8107	1.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.176	C1	C2	H6	109.532
C1	C2	H7	109.532	C2	C1	O3	124.460
C2	C1	H4	114.802	O3	C1	H4	120.738
H5	C2	H6	110.164	H5	C2	H7	110.164
H6	C2	H7	107.220

All results from a given calculation for CH₃CHO (Acetaldehyde)

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

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)