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	hartrees
Energy at 0K	-153.470681
Energy at 298.15K
HF Energy	-152.936582
Nuclear repulsion energy	68.992733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3151	3060
2	A	3099	3010
3	A	3025	2938
4	A	2926	2842
5	A	1756	1705
6	A	1454	1413
7	A	1445	1404
8	A	1407	1367
9	A	1363	1324
10	A	1124	1092
11	A	1111	1079
12	A	892	867
13	A	763	741
14	A	498	484
15	A	159	154

Atom	x (Å)	y (Å)	z (Å)
C1	0.231	0.405	0.000
C2	-1.178	-0.151	0.000
O3	1.245	-0.280	-0.000
H4	0.311	1.521	0.000
H5	-1.158	-1.252	0.001
H6	-1.717	0.223	0.889
H7	-1.717	0.222	-0.890

	C1	C2	O3	H4	H5	H6	H7
C1		1.5147	1.2237	1.1190	2.1621	2.1496	2.1496
C2	1.5147		2.4262	2.2392	1.1009	1.1057	1.1057
O3	1.2237	2.4262		2.0290	2.5918	3.1337	3.1334
H4	1.1190	2.2392	2.0290		3.1382	2.5673	2.5677
H5	2.1621	1.1009	2.5918	3.1382		1.8109	1.8109
H6	2.1496	1.1057	3.1337	2.5673	1.8109		1.7797
H7	2.1496	1.1057	3.1334	2.5677	1.8109	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.501	C1	C2	H6	109.242
C1	C2	H7	109.242	C2	C1	O3	124.402
C2	C1	H4	115.650	O3	C1	H4	119.949
H5	C2	H6	110.305	H5	C2	H7	110.305
H6	C2	H7	107.174

All results from a given calculation for CH₃CHO (Acetaldehyde)

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

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)