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	hartrees
Energy at 0K	-153.552585
Energy at 298.15K
HF Energy	-152.969869
Nuclear repulsion energy	69.524658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3166	3026
2	A	3116	2979
3	A	3045	2911
4	A	2935	2805
5	A	1783	1704
6	A	1484	1419
7	A	1482	1417
8	A	1454	1390
9	A	1405	1344
10	A	1144	1094
11	A	1139	1089
12	A	897	858
13	A	783	749
14	A	514	491
15	A	154	147

Atom	x (Å)	y (Å)	z (Å)
C1	0.232	0.402	0.000
C2	-1.171	-0.149	0.000
O3	1.236	-0.278	-0.000
H4	0.306	1.508	0.000
H5	-1.150	-1.238	0.000
H6	-1.705	0.218	0.882
H7	-1.705	0.218	-0.882

	C1	C2	O3	H4	H5	H6	H7
C1		1.5070	1.2135	1.1077	2.1452	2.1357	2.1357
C2	1.5070		2.4108	2.2193	1.0896	1.0942	1.0942
O3	1.2135	2.4108		2.0135	2.5727	3.1103	3.1103
H4	1.1077	2.2193	2.0135		3.1082	2.5464	2.5465
H5	2.1452	1.0896	2.5727	3.1082		1.7903	1.7903
H6	2.1357	1.0942	3.1103	2.5464	1.7903		1.7638
H7	2.1357	1.0942	3.1103	2.5465	1.7903	1.7638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.381	C1	C2	H6	109.358
C1	C2	H7	109.357	C2	C1	O3	124.435
C2	C1	H4	115.309	O3	C1	H4	120.256
H5	C2	H6	110.139	H5	C2	H7	110.139
H6	C2	H7	107.409

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCSD(T)=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)