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	hartrees
Energy at 0K	-153.599687
Energy at 298.15K
HF Energy	-152.976511
Nuclear repulsion energy	69.554457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3150	3150
2	A	3099	3099
3	A	3031	3031
4	A	2925	2925
5	A	1778	1778
6	A	1485	1485
7	A	1474	1474
8	A	1417	1417
9	A	1389	1389
10	A	1131	1131
11	A	1129	1129
12	A	892	892
13	A	775	775
14	A	508	508
15	A	159	159

Atom	x (Å)	y (Å)	z (Å)
C1	0.231	0.403	0.000
C2	-1.169	-0.150	0.000
O3	1.235	-0.278	-0.000
H4	0.307	1.508	0.000
H5	-1.150	-1.239	0.000
H6	-1.704	0.220	0.880
H7	-1.704	0.219	-0.881

	C1	C2	O3	H4	H5	H6	H7
C1		1.5051	1.2136	1.1081	2.1451	2.1333	2.1333
C2	1.5051		2.4083	2.2202	1.0894	1.0942	1.0942
O3	1.2136	2.4083		2.0127	2.5721	3.1086	3.1084
H4	1.1081	2.2202	2.0127		3.1098	2.5455	2.5457
H5	2.1451	1.0894	2.5721	3.1098		1.7915	1.7915
H6	2.1333	1.0942	3.1086	2.5455	1.7915		1.7607
H7	2.1333	1.0942	3.1084	2.5457	1.7915	1.7607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.526	C1	C2	H6	109.296
C1	C2	H7	109.296	C2	C1	O3	124.361
C2	C1	H4	115.506	O3	C1	H4	120.133
H5	C2	H6	110.258	H5	C2	H7	110.258
H6	C2	H7	107.135

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCSD(T)/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: CCSD(T)/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)