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	hartrees
Energy at 0K	-153.509857
Energy at 298.15K
HF Energy	-152.931867
Nuclear repulsion energy	69.508808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3193	3193
2	A	3143	3143
3	A	3070	3070
4	A	2941	2941
5	A	1811	1811
6	A	1494	1494
7	A	1485	1485
8	A	1443	1443
9	A	1395	1395
10	A	1139	1139
11	A	1135	1135
12	A	898	898
13	A	780	780
14	A	499	499
15	A	165	165

Atom	x (Å)	y (Å)	z (Å)
C1	0.234	0.402	0.000
C2	-1.172	-0.149	0.000
O3	1.236	-0.278	-0.000
H4	0.303	1.510	0.000
H5	-1.149	-1.239	0.000
H6	-1.709	0.218	0.881
H7	-1.709	0.218	-0.881

	C1	C2	O3	H4	H5	H6	H7
C1		1.5103	1.2109	1.1101	2.1466	2.1420	2.1420
C2	1.5103		2.4112	2.2198	1.0906	1.0953	1.0953
O3	1.2109	2.4112		2.0172	2.5712	3.1140	3.1139
H4	1.1101	2.2198	2.0172		3.1093	2.5486	2.5487
H5	2.1466	1.0906	2.5712	3.1093		1.7926	1.7926
H6	2.1420	1.0953	3.1140	2.5486	1.7926		1.7621
H7	2.1420	1.0953	3.1139	2.5487	1.7926	1.7621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.204	C1	C2	H6	109.555
C1	C2	H7	109.555	C2	C1	O3	124.406
C2	C1	H4	114.946	O3	C1	H4	120.648
H5	C2	H6	110.184	H5	C2	H7	110.184
H6	C2	H7	107.101

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCSD(T)/6-31G(2df,p)

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)/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)