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	hartrees
Energy at 0K	-153.168474
Energy at 298.15K
HF Energy	-152.840089
Nuclear repulsion energy	68.534175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3133	3007	14.18
2	A'	3023	2900	5.25
3	A'	2986	2865	91.39
4	A'	1734	1664	63.99
5	A'	1530	1468	17.25
6	A'	1461	1402	16.55
7	A'	1457	1398	9.73
8	A'	1165	1118	23.75
9	A'	927	889	5.57
10	A'	516	495	14.62
11	A"	3089	2964	14.03
12	A"	1530	1468	11.81
13	A"	1166	1118	0.05
14	A"	811	778	1.75
15	A"	147	141	1.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.473	0.000
C2	-0.970	-0.694	0.000
O3	1.240	0.348	0.000
H4	-0.452	1.484	0.000
H5	-0.409	-1.639	0.000
H6	-1.620	-0.650	0.890
H7	-1.620	-0.650	-0.890

	C1	C2	O3	H4	H5	H6	H7
C1		1.5174	1.2463	1.1074	2.1518	2.1633	2.1633
C2	1.5174		2.4429	2.2390	1.0992	1.1034	1.1034
O3	1.2463	2.4429		2.0381	2.5822	3.1572	3.1572
H4	1.1074	2.2390	2.0381		3.1240	2.5913	2.5913
H5	2.1518	1.0992	2.5822	3.1240		1.7992	1.7992
H6	2.1633	1.1034	3.1572	2.5913	1.7992		1.7810
H7	2.1633	1.1034	3.1572	2.5913	1.7992	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.608	C1	C2	H6	110.260
C1	C2	H7	110.260	C2	C1	O3	123.943
C2	C1	H4	116.204	O3	C1	H4	119.853
H5	C2	H6	109.536	H5	C2	H7	109.536
H6	C2	H7	107.611

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCD/6-31G

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: CCD/6-31G

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)