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	hartrees
Energy at 0K	-153.576219
Energy at 298.15K
HF Energy	-152.977125
Nuclear repulsion energy	69.731247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3168	3168	8.13
2	A	3117	3117	7.62
3	A	3051	3051	3.30
4	A	2946	2946	95.77
5	A	1813	1813	160.57
6	A	1499	1499	8.71
7	A	1488	1488	20.32
8	A	1437	1437	11.48
9	A	1406	1406	13.27
10	A	1149	1149	21.81
11	A	1149	1149	0.01
12	A	907	907	6.19
13	A	787	787	0.98
14	A	510	510	14.06
15	A	159	159	1.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.232	0.401	0.000
C2	-1.167	-0.149	0.000
O3	1.232	-0.278	0.000
H4	0.311	1.504	0.000
H5	-1.151	-1.236	-0.000
H6	-1.701	0.220	0.879
H7	-1.701	0.221	-0.879

	C1	C2	O3	H4	H5	H6	H7
C1		1.5027	1.2087	1.1057	2.1424	2.1306	2.1306
C2	1.5027		2.4025	2.2168	1.0876	1.0925	1.0925
O3	1.2087	2.4025		2.0053	2.5682	3.1020	3.1020
H4	1.1057	2.2168	2.0053		3.1051	2.5430	2.5430
H5	2.1424	1.0876	2.5682	3.1051		1.7879	1.7879
H6	2.1306	1.0925	3.1020	2.5430	1.7879		1.7579
H7	2.1306	1.0925	3.1020	2.5430	1.7879	1.7579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.576	C1	C2	H6	109.349
C1	C2	H7	109.349	C2	C1	O3	124.416
C2	C1	H4	115.558	O3	C1	H4	120.027
H5	C2	H6	110.188	H5	C2	H7	110.188
H6	C2	H7	107.120

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: QCISD/daug-cc-pVTZ

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/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)