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	hartrees
Energy at 0K	-153.408666
Energy at 298.15K
HF Energy	-152.926280
Nuclear repulsion energy	69.556635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3048	9.28
2	A'	3109	2929	4.29
3	A'	3025	2851	98.16
4	A'	1855	1748	148.19
5	A'	1517	1430	17.91
6	A'	1470	1386	14.00
7	A'	1439	1356	10.81
8	A'	1167	1099	22.18
9	A'	926	872	5.02
10	A'	518	489	14.88
11	A"	3185	3001	9.81
12	A"	1520	1432	10.29
13	A"	1167	1099	0.01
14	A"	799	753	0.54
15	A"	141	133	1.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.464	0.000
C2	-0.943	-0.708	0.000
O3	1.212	0.369	0.000
H4	-0.474	1.461	0.000
H5	-0.387	-1.642	0.000
H6	-1.588	-0.657	0.880
H7	-1.588	-0.657	-0.880

	C1	C2	O3	H4	H5	H6	H7
C1		1.5044	1.2158	1.1036	2.1411	2.1338	2.1338
C2	1.5044		2.4094	2.2189	1.0874	1.0920	1.0920
O3	1.2158	2.4094		2.0085	2.5688	3.1093	3.1093
H4	1.1036	2.2189	2.0085		3.1038	2.5496	2.5496
H5	2.1411	1.0874	2.5688	3.1038		1.7855	1.7855
H6	2.1338	1.0920	3.1093	2.5496	1.7855		1.7595
H7	2.1338	1.0920	3.1093	2.5496	1.7855	1.7595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.364	C1	C2	H6	109.508
C1	C2	H7	109.508	C2	C1	O3	124.345
C2	C1	H4	115.743	O3	C1	H4	119.912
H5	C2	H6	110.027	H5	C2	H7	110.027
H6	C2	H7	107.352

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)