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	hartrees
Energy at 0K	-153.465987
Energy at 298.15K
HF Energy	-152.937026
Nuclear repulsion energy	68.932102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3148	3148
2	A	3093	3093
3	A	3018	3018
4	A	2913	2913
5	A	1753	1753
6	A	1456	1456
7	A	1445	1445
8	A	1403	1403
9	A	1354	1354
10	A	1124	1124
11	A	1112	1112
12	A	901	901
13	A	771	771
14	A	500	500
15	A	190	190

Atom	x (Å)	y (Å)	z (Å)
C1	0.232	0.405	-0.000
C2	-1.179	-0.151	-0.000
O3	1.246	-0.280	0.000
H4	0.310	1.523	-0.000
H5	-1.161	-1.253	-0.001
H6	-1.718	0.222	0.891
H7	-1.719	0.225	-0.889

	C1	C2	O3	H4	H5	H6	H7
C1		1.5166	1.2246	1.1198	2.1652	2.1514	2.1514
C2	1.5166		2.4287	2.2405	1.1013	1.1064	1.1064
O3	1.2246	2.4287		2.0312	2.5960	3.1359	3.1366
H4	1.1198	2.2405	2.0312		3.1408	2.5686	2.5677
H5	2.1652	1.1013	2.5960	3.1408		1.8118	1.8118
H6	2.1514	1.1064	3.1359	2.5686	1.8118		1.7804
H7	2.1514	1.1064	3.1366	2.5677	1.8118	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.593	C1	C2	H6	109.214
C1	C2	H7	109.214	C2	C1	O3	124.405
C2	C1	H4	115.569	O3	C1	H4	120.027
H5	C2	H6	110.304	H5	C2	H7	110.304
H6	C2	H7	107.136

All results from a given calculation for CH₃CHO (Acetaldehyde)

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

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)