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	hartrees
Energy at 0K	-153.658805
Energy at 298.15K
HF Energy	-152.976572
Nuclear repulsion energy	69.658963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3150	3150
2	A	3104	3104
3	A	3047	3047
4	A	2899	2899
5	A	1750	1750
6	A	1494	1494
7	A	1479	1479
8	A	1414	1414
9	A	1393	1393
10	A	1139	1139
11	A	1135	1135
12	A	897	897
13	A	776	776
14	A	498	498
15	A	158	158

Atom	x (Å)	y (Å)	z (Å)
C1	0.227	0.401	0.000
C2	-1.167	-0.150	0.000
O3	1.236	-0.276	-0.000
H4	0.299	1.505	0.000
H5	-1.148	-1.237	0.000
H6	-1.700	0.219	0.878
H7	-1.700	0.218	-0.879

	C1	C2	O3	H4	H5	H6	H7
C1		1.4991	1.2144	1.1064	2.1388	2.1259	2.1259
C2	1.4991		2.4056	2.2112	1.0870	1.0918	1.0918
O3	1.2144	2.4056		2.0120	2.5699	3.1039	3.1036
H4	1.1064	2.2112	2.0120		3.1006	2.5346	2.5349
H5	2.1388	1.0870	2.5699	3.1006		1.7874	1.7874
H6	2.1259	1.0918	3.1039	2.5346	1.7874		1.7570
H7	2.1259	1.0918	3.1036	2.5349	1.7874	1.7570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.575	C1	C2	H6	109.273
C1	C2	H7	109.273	C2	C1	O3	124.551
C2	C1	H4	115.307	O3	C1	H4	120.142
H5	C2	H6	110.245	H5	C2	H7	110.245
H6	C2	H7	107.158

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP4=FULL/daug-cc-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: MP4=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)