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	hartrees
Energy at 0K	-153.444822
Energy at 298.15K
HF Energy	-152.937289
Nuclear repulsion energy	69.152940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3048	10.43
2	A'	3041	2930	4.50
3	A'	2954	2846	98.89
4	A'	1800	1734	155.11
5	A'	1456	1402	18.42
6	A'	1423	1371	10.87
7	A'	1379	1328	11.56
8	A'	1135	1094	20.59
9	A'	903	870	4.61
10	A'	505	486	14.47
11	A"	3112	2998	10.21
12	A"	1464	1411	7.91
13	A"	1128	1087	0.01
14	A"	774	745	0.83
15	A"	159	153	1.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.466	0.000
C2	-0.943	-0.717	0.000
O3	1.215	0.377	0.000
H4	-0.486	1.472	0.000
H5	-0.379	-1.661	0.000
H6	-1.597	-0.663	0.889
H7	-1.597	-0.663	-0.889

	C1	C2	O3	H4	H5	H6	H7
C1		1.5135	1.2182	1.1175	2.1611	2.1488	2.1488
C2	1.5135		2.4200	2.2368	1.1001	1.1049	1.1049
O3	1.2182	2.4200		2.0232	2.5876	3.1274	3.1274
H4	1.1175	2.2368	2.0232		3.1356	2.5662	2.5662
H5	2.1611	1.1001	2.5876	3.1356		1.8087	1.8087
H6	2.1488	1.1049	3.1274	2.5662	1.8087		1.7783
H7	2.1488	1.1049	3.1274	2.5662	1.8087	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.556	C1	C2	H6	109.305
C1	C2	H7	109.305	C2	C1	O3	124.372
C2	C1	H4	115.644	O3	C1	H4	119.984
H5	C2	H6	110.219	H5	C2	H7	110.219
H6	C2	H7	107.167

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCSD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)