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	hartrees
Energy at 0K	-153.429850
Energy at 298.15K	-153.433752
HF Energy	-152.956414
Nuclear repulsion energy	69.149328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3066	5.49
2	A'	3044	2929	1.98
3	A'	2919	2808	108.22
4	A'	1763	1696	133.88
5	A'	1450	1395	20.52
6	A'	1407	1354	11.76
7	A'	1367	1315	16.15
8	A'	1126	1083	20.16
9	A'	901	866	5.16
10	A'	504	485	12.99
11	A"	3138	3019	4.36
12	A"	1462	1406	9.38
13	A"	1122	1079	0.00
14	A"	770	741	1.15
15	A"	148	142	1.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.464	0.000
C2	-0.946	-0.706	0.000
O3	1.219	0.366	0.000
H4	-0.481	1.478	0.000
H5	-0.391	-1.655	0.000
H6	-1.602	-0.648	0.887
H7	-1.602	-0.648	-0.887

	C1	C2	O3	H4	H5	H6	H7
C1		1.5052	1.2233	1.1222	2.1550	2.1426	2.1426
C2	1.5052		2.4165	2.2336	1.0996	1.1049	1.1049
O3	1.2233	2.4165		2.0317	2.5837	3.1265	3.1265
H4	1.1222	2.2336	2.0317		3.1346	2.5622	2.5622
H5	2.1550	1.0996	2.5837	3.1346		1.8083	1.8083
H6	2.1426	1.1049	3.1265	2.5622	1.8083		1.7747
H7	2.1426	1.1049	3.1265	2.5622	1.8083	1.7747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.683	C1	C2	H6	109.387
C1	C2	H7	109.387	C2	C1	O3	124.338
C2	C1	H4	115.680	O3	C1	H4	119.982
H5	C2	H6	110.224	H5	C2	H7	110.224
H6	C2	H7	106.853

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2/Sadlej_pVTZ

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: MP2/Sadlej_pVTZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)