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	hartrees
Energy at 0K	-152.348164
Energy at 298.15K
HF Energy	-152.054029
Nuclear repulsion energy	68.956710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	2984	9.58
2	A'	3104	2888	1.74
3	A'	3015	2805	103.58
4	A'	1788	1664	66.62
5	A'	1574	1465	18.44
6	A'	1504	1399	4.21
7	A'	1483	1380	27.97
8	A'	1166	1085	27.11
9	A'	902	839	9.50
10	A'	506	471	12.61
11	A"	3160	2940	8.44
12	A"	1586	1476	12.44
13	A"	1201	1118	0.56
14	A"	842	783	2.27
15	A"	169	157	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.468	0.000
C2	-0.956	-0.714	0.000
O3	1.227	0.378	0.000
H4	-0.499	1.448	0.000
H5	-0.384	-1.643	0.000
H6	-1.598	-0.673	0.885
H7	-1.598	-0.673	-0.885

	C1	C2	O3	H4	H5	H6	H7
C1		1.5197	1.2299	1.1003	2.1449	2.1540	2.1540
C2	1.5197		2.4400	2.2101	1.0904	1.0948	1.0948
O3	1.2299	2.4400		2.0307	2.5837	3.1413	3.1413
H4	1.1003	2.2101	2.0307		3.0931	2.5481	2.5481
H5	2.1449	1.0904	2.5837	3.0931		1.7884	1.7884
H6	2.1540	1.0948	3.1413	2.5481	1.7884		1.7707
H7	2.1540	1.0948	3.1413	2.5481	1.7884	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.425	C1	C2	H6	109.880
C1	C2	H7	109.880	C2	C1	O3	124.764
C2	C1	H4	114.075	O3	C1	H4	121.161
H5	C2	H6	109.854	H5	C2	H7	109.854
H6	C2	H7	107.929

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)