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	hartrees
Energy at 0K	-153.600466
Energy at 298.15K
HF Energy	-152.976432
Nuclear repulsion energy	69.533057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3149	3149
2	A	3098	3098
3	A	3030	3030
4	A	2921	2921
5	A	1774	1774
6	A	1485	1485
7	A	1473	1473
8	A	1416	1416
9	A	1388	1388
10	A	1130	1130
11	A	1128	1128
12	A	890	890
13	A	775	775
14	A	506	506
15	A	158	158

Atom	x (Å)	y (Å)	z (Å)
C1	0.230	0.403	0.000
C2	-1.170	-0.150	0.000
O3	1.236	-0.278	-0.000
H4	0.307	1.508	0.000
H5	-1.151	-1.239	0.000
H6	-1.704	0.220	0.880
H7	-1.704	0.219	-0.881

	C1	C2	O3	H4	H5	H6	H7
C1		1.5053	1.2143	1.1083	2.1455	2.1335	2.1335
C2	1.5053		2.4092	2.2205	1.0894	1.0943	1.0943
O3	1.2143	2.4092		2.0135	2.5729	3.1095	3.1093
H4	1.1083	2.2205	2.0135		3.1102	2.5456	2.5458
H5	2.1455	1.0894	2.5729	3.1102		1.7917	1.7917
H6	2.1335	1.0943	3.1095	2.5456	1.7917		1.7609
H7	2.1335	1.0943	3.1093	2.5458	1.7917	1.7609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.526	C1	C2	H6	109.289
C1	C2	H7	109.289	C2	C1	O3	124.370
C2	C1	H4	115.491	O3	C1	H4	120.138
H5	C2	H6	110.264	H5	C2	H7	110.264
H6	C2	H7	107.137

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: QCISD(T)/daug-cc-pVTZ

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)/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)