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	hartrees
Energy at 0K	-153.398949
Energy at 298.15K
HF Energy	-152.912763
Nuclear repulsion energy	69.152457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3180	3058
2	A	3131	3011
3	A	3058	2940
4	A	2926	2813
5	A	1773	1705
6	A	1517	1459
7	A	1510	1452
8	A	1446	1390
9	A	1423	1369
10	A	1152	1108
11	A	1152	1108
12	A	911	876
13	A	788	757
14	A	507	488
15	A	142	137

Atom	x (Å)	y (Å)	z (Å)
C1	0.228	0.406	0.000
C2	-1.174	-0.151	0.000
O3	1.245	-0.278	-0.000
H4	0.295	1.518	0.000
H5	-1.139	-1.244	0.001
H6	-1.718	0.209	0.884
H7	-1.718	0.208	-0.885

	C1	C2	O3	H4	H5	H6	H7
C1		1.5080	1.2254	1.1142	2.1428	2.1462	2.1462
C2	1.5080		2.4221	2.2234	1.0944	1.0989	1.0989
O3	1.2254	2.4221		2.0311	2.5726	3.1301	3.1298
H4	1.1142	2.2234	2.0311		3.1128	2.5591	2.5596
H5	2.1428	1.0944	2.5726	3.1128		1.7969	1.7969
H6	2.1462	1.0989	3.1301	2.5591	1.7969		1.7692
H7	2.1462	1.0989	3.1298	2.5596	1.7969	1.7692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.837	C1	C2	H6	109.841
C1	C2	H7	109.841	C2	C1	O3	124.451
C2	C1	H4	115.144	O3	C1	H4	120.405
H5	C2	H6	110.030	H5	C2	H7	110.030
H6	C2	H7	107.223

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP4=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: MP4=FULL/6-31G*

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)