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	hartrees
Energy at 0K	-153.635404
Energy at 298.15K
HF Energy	-152.974136
Nuclear repulsion energy	69.715889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3161	3044
2	A	3114	2998
3	A	3057	2944
4	A	2924	2816
5	A	1763	1698
6	A	1492	1437
7	A	1479	1424
8	A	1437	1384
9	A	1389	1338
10	A	1140	1098
11	A	1139	1097
12	A	899	866
13	A	786	757
14	A	503	485
15	A	166	160

Atom	x (Å)	y (Å)	z (Å)
C1	0.228	0.401	-0.000
C2	-1.166	-0.150	-0.000
O3	1.235	-0.275	0.000
H4	0.296	1.502	-0.000
H5	-1.144	-1.235	-0.000
H6	-1.701	0.215	0.877
H7	-1.701	0.215	-0.877

	C1	C2	O3	H4	H5	H6	H7
C1		1.4989	1.2135	1.1030	2.1349	2.1265	2.1265
C2	1.4989		2.4049	2.2061	1.0850	1.0897	1.0897
O3	1.2135	2.4049		2.0102	2.5657	3.1031	3.1032
H4	1.1030	2.2061	2.0102		3.0924	2.5320	2.5319
H5	2.1349	1.0850	2.5657	3.0924		1.7834	1.7834
H6	2.1265	1.0897	3.1031	2.5320	1.7834		1.7535
H7	2.1265	1.0897	3.1032	2.5319	1.7834	1.7535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.400	C1	C2	H6	109.443
C1	C2	H7	109.443	C2	C1	O3	124.564
C2	C1	H4	115.113	O3	C1	H4	120.323
H5	C2	H6	110.181	H5	C2	H7	110.181
H6	C2	H7	107.129

All results from a given calculation for CH₃CHO (Acetaldehyde)

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

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)