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	hartrees
Energy at 0K	-153.366772
Energy at 298.15K	-153.370696
HF Energy	-152.914253
Nuclear repulsion energy	69.477806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3028	8.11
2	A'	3079	2914	2.81
3	A'	2982	2822	106.64
4	A'	1873	1773	114.56
5	A'	1520	1439	15.50
6	A'	1473	1394	14.44
7	A'	1439	1362	14.77
8	A'	1166	1104	22.37
9	A'	928	879	4.69
10	A'	519	491	14.73
11	A"	3150	2981	8.96
12	A"	1524	1443	10.21
13	A"	1171	1109	0.49
14	A"	800	758	0.82
15	A"	146	138	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.465	0.000
C2	-0.938	-0.718	0.000
O3	1.209	0.383	0.000
H4	-0.500	1.459	0.000
H5	-0.363	-1.648	0.000
H6	-1.588	-0.680	0.884
H7	-1.588	-0.680	-0.884

	C1	C2	O3	H4	H5	H6	H7
C1		1.5102	1.2115	1.1125	2.1440	2.1486	2.1486
C2	1.5102		2.4129	2.2207	1.0933	1.0979	1.0979
O3	1.2115	2.4129		2.0196	2.5678	3.1201	3.1201
H4	1.1125	2.2207	2.0196		3.1098	2.5577	2.5577
H5	2.1440	1.0933	2.5678	3.1098		1.7941	1.7941
H6	2.1486	1.0979	3.1201	2.5577	1.7941		1.7680
H7	2.1486	1.0979	3.1201	2.5577	1.7941	1.7680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.839	C1	C2	H6	109.930
C1	C2	H7	109.930	C2	C1	O3	124.510
C2	C1	H4	114.868	O3	C1	H4	120.623
H5	C2	H6	109.925	H5	C2	H7	109.925
H6	C2	H7	107.256

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)