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	hartrees
Energy at 0K	-153.429498
Energy at 298.15K
HF Energy	-152.926564
Nuclear repulsion energy	69.048434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3173	3106
2	A	3125	3059
3	A	3044	2980
4	A	2910	2849
5	A	1802	1764
6	A	1466	1435
7	A	1453	1422
8	A	1422	1392
9	A	1371	1342
10	A	1126	1102
11	A	1121	1097
12	A	897	878
13	A	772	755
14	A	500	489
15	A	167	164

Atom	x (Å)	y (Å)	z (Å)
C1	0.235	0.404	0.000
C2	-1.177	-0.150	0.000
O3	1.243	-0.279	-0.000
H4	0.301	1.526	0.000
H5	-1.153	-1.253	0.000
H6	-1.720	0.220	0.891
H7	-1.720	0.220	-0.892

	C1	C2	O3	H4	H5	H6	H7
C1		1.5167	1.2179	1.1242	2.1610	2.1562	2.1562
C2	1.5167		2.4235	2.2348	1.1030	1.1074	1.1074
O3	1.2179	2.4235		2.0366	2.5859	3.1341	3.1340
H4	1.1242	2.2348	2.0366		3.1362	2.5659	2.5660
H5	2.1610	1.1030	2.5859	3.1362		1.8125	1.8125
H6	2.1562	1.1074	3.1341	2.5659	1.8125		1.7830
H7	2.1562	1.1074	3.1340	2.5660	1.8125	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.162	C1	C2	H6	109.523
C1	C2	H7	109.523	C2	C1	O3	124.444
C2	C1	H4	114.795	O3	C1	H4	120.761
H5	C2	H6	110.175	H5	C2	H7	110.175
H6	C2	H7	107.233

All results from a given calculation for CH₃CHO (Acetaldehyde)

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

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)