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	hartrees
Energy at 0K	-152.398313
Energy at 298.15K
HF Energy	-152.050675
Nuclear repulsion energy	68.131476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3137	3070
2	A	3092	3026
3	A	3030	2966
4	A	2880	2819
5	A	1636	1601
6	A	1556	1523
7	A	1537	1505
8	A	1441	1410
9	A	1438	1408
10	A	1157	1132
11	A	1125	1101
12	A	855	837
13	A	811	794
14	A	482	472
15	A	162	159

Atom	x (Å)	y (Å)	z (Å)
C1	0.227	0.412	0.000
C2	-1.197	-0.155	0.000
O3	1.273	-0.277	-0.000
H4	0.261	1.522	0.000
H5	-1.150	-1.250	0.000
H6	-1.739	0.199	0.890
H7	-1.738	0.198	-0.891

	C1	C2	O3	H4	H5	H6	H7
C1		1.5328	1.2529	1.1108	2.1582	2.1681	2.1681
C2	1.5328		2.4735	2.2225	1.0961	1.1004	1.1004
O3	1.2529	2.4735		2.0644	2.6113	3.1766	3.1763
H4	1.1108	2.2225	2.0644		3.1107	2.5577	2.5581
H5	2.1582	1.0961	2.6113	3.1107		1.7995	1.7995
H6	2.1681	1.1004	3.1766	2.5577	1.7995		1.7809
H7	2.1681	1.1004	3.1763	2.5581	1.7995	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.239	C1	C2	H6	109.759
C1	C2	H7	109.760	C2	C1	O3	124.930
C2	C1	H4	113.477	O3	C1	H4	121.593
H5	C2	H6	110.019	H5	C2	H7	110.019
H6	C2	H7	108.031

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP4=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)