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	hartrees
Energy at 0K	-153.437630
Energy at 298.15K
HF Energy	-152.926224
Nuclear repulsion energy	68.990587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3184	3073
2	A	3141	3031
3	A	3056	2949
4	A	2897	2796
5	A	1773	1711
6	A	1469	1418
7	A	1455	1404
8	A	1415	1366
9	A	1371	1323
10	A	1125	1086
11	A	1120	1081
12	A	894	863
13	A	771	744
14	A	497	480
15	A	165	159

Atom	x (Å)	y (Å)	z (Å)
C1	0.233	0.403	0.000
C2	-1.178	-0.151	0.000
O3	1.246	-0.278	-0.000
H4	0.293	1.527	0.000
H5	-1.153	-1.253	0.000
H6	-1.721	0.218	0.890
H7	-1.721	0.217	-0.891

	C1	C2	O3	H4	H5	H6	H7
C1		1.5158	1.2211	1.1250	2.1595	2.1550	2.1550
C2	1.5158		2.4275	2.2309	1.1020	1.1060	1.1060
O3	1.2211	2.4275		2.0412	2.5899	3.1372	3.1370
H4	1.1250	2.2309	2.0412		3.1330	2.5611	2.5614
H5	2.1595	1.1020	2.5899	3.1330		1.8101	1.8101
H6	2.1550	1.1060	3.1372	2.5611	1.8101		1.7806
H7	2.1550	1.1060	3.1370	2.5614	1.8101	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.166	C1	C2	H6	109.572
C1	C2	H7	109.572	C2	C1	O3	124.640
C2	C1	H4	114.487	O3	C1	H4	120.873
H5	C2	H6	110.130	H5	C2	H7	110.130
H6	C2	H7	107.221

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP4=FULL/cc-pVDZ

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-pVDZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)