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	hartrees
Energy at 0K	-153.373396
Energy at 298.15K	-153.377332
HF Energy	-152.914708
Nuclear repulsion energy	69.644134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3027	7.05
2	A'	3104	2913	2.21
3	A'	3009	2824	103.93
4	A'	1896	1779	125.49
5	A'	1527	1433	16.53
6	A'	1483	1392	14.45
7	A'	1445	1356	16.98
8	A'	1172	1100	22.94
9	A'	934	877	4.58
10	A'	522	490	15.25
11	A"	3174	2978	7.63
12	A"	1531	1437	10.83
13	A"	1179	1106	0.53
14	A"	804	755	0.96
15	A"	149	140	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.465	0.000
C2	-0.936	-0.716	0.000
O3	1.206	0.381	0.000
H4	-0.498	1.457	0.000
H5	-0.362	-1.644	0.000
H6	-1.585	-0.677	0.882
H7	-1.585	-0.677	-0.882

	C1	C2	O3	H4	H5	H6	H7
C1		1.5069	1.2087	1.1100	2.1391	2.1433	2.1433
C2	1.5069		2.4066	2.2167	1.0910	1.0957	1.0957
O3	1.2087	2.4066		2.0149	2.5605	3.1121	3.1121
H4	1.1100	2.2167	2.0149		3.1034	2.5522	2.5522
H5	2.1391	1.0910	2.5605	3.1034		1.7911	1.7911
H6	2.1433	1.0957	3.1121	2.5522	1.7911		1.7645
H7	2.1433	1.0957	3.1121	2.5522	1.7911	1.7645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.816	C1	C2	H6	109.876
C1	C2	H7	109.876	C2	C1	O3	124.439
C2	C1	H4	114.943	O3	C1	H4	120.618
H5	C2	H6	109.988	H5	C2	H7	109.988
H6	C2	H7	107.260

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP3=FULL/6-31G*

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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)