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	hartrees
Energy at 0K	-153.461915
Energy at 298.15K
HF Energy	-152.956720
Nuclear repulsion energy	69.660769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3039	11.01
2	A'	3063	2926	3.80
3	A'	2954	2821	117.17
4	A'	1872	1787	134.00
5	A'	1492	1425	15.86
6	A'	1462	1396	15.24
7	A'	1409	1346	14.07
8	A'	1151	1099	23.56
9	A'	911	870	5.18
10	A'	515	492	14.67
11	A"	3135	2994	11.76
12	A"	1499	1432	9.42
13	A"	1154	1102	0.06
14	A"	792	757	0.32
15	A"	159	152	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.466	0.000
C2	-0.932	-0.724	0.000
O3	1.201	0.388	0.000
H4	-0.501	1.458	0.000
H5	-0.355	-1.651	0.000
H6	-1.580	-0.684	0.884
H7	-1.580	-0.684	-0.884

	C1	C2	O3	H4	H5	H6	H7
C1		1.5114	1.2031	1.1107	2.1467	2.1442	2.1442
C2	1.5114		2.4049	2.2237	1.0919	1.0965	1.0965
O3	1.2031	2.4049		2.0093	2.5647	3.1079	3.1079
H4	1.1107	2.2237	2.0093		3.1120	2.5553	2.5553
H5	2.1467	1.0919	2.5647	3.1120		1.7937	1.7937
H6	2.1442	1.0965	3.1079	2.5553	1.7937		1.7673
H7	2.1442	1.0965	3.1079	2.5553	1.7937	1.7673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.049	C1	C2	H6	109.589
C1	C2	H7	109.589	C2	C1	O3	124.349
C2	C1	H4	115.152	O3	C1	H4	120.498
H5	C2	H6	110.090	H5	C2	H7	110.090
H6	C2	H7	107.390

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCD/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)