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	hartrees
Energy at 0K	-153.320026
Energy at 298.15K
HF Energy	-152.915231
Nuclear repulsion energy	69.821976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3016	8.15
2	A'	3143	2903	2.86
3	A'	3056	2822	107.62
4	A'	1928	1781	148.22
5	A'	1549	1431	16.53
6	A'	1504	1389	16.05
7	A'	1471	1358	14.14
8	A'	1190	1099	23.81
9	A'	945	873	4.41
10	A'	528	488	16.15
11	A"	3212	2967	9.07
12	A"	1554	1436	10.40
13	A"	1203	1111	0.85
14	A"	819	756	0.59
15	A"	148	137	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.464	0.000
C2	-0.935	-0.712	0.000
O3	1.203	0.377	0.000
H4	-0.486	1.455	0.000
H5	-0.366	-1.639	0.000
H6	-1.581	-0.672	0.879
H7	-1.581	-0.672	-0.879

	C1	C2	O3	H4	H5	H6	H7
C1		1.5021	1.2058	1.1040	2.1343	2.1361	2.1361
C2	1.5021		2.3988	2.2134	1.0873	1.0922	1.0922
O3	1.2058	2.3988		2.0032	2.5544	3.1022	3.1022
H4	1.1040	2.2134	2.0032		3.0965	2.5490	2.5490
H5	2.1343	1.0873	2.5544	3.0965		1.7848	1.7848
H6	2.1361	1.0922	3.1022	2.5490	1.7848		1.7582
H7	2.1361	1.0922	3.1022	2.5490	1.7848	1.7582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.996	C1	C2	H6	109.846
C1	C2	H7	109.846	C2	C1	O3	124.349
C2	C1	H4	115.428	O3	C1	H4	120.222
H5	C2	H6	109.952	H5	C2	H7	109.952
H6	C2	H7	107.206

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)