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	hartrees
Energy at 0K	-153.594431
Energy at 298.15K
HF Energy	-152.979839
Nuclear repulsion energy	69.472950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3161	3161
2	A	3112	3112
3	A	3040	3040
4	A	2910	2910
5	A	1742	1742
6	A	1480	1480
7	A	1467	1467
8	A	1420	1420
9	A	1382	1382
10	A	1131	1131
11	A	1127	1127
12	A	889	889
13	A	771	771
14	A	499	499
15	A	152	152

Atom	x (Å)	y (Å)	z (Å)
C1	0.229	0.403	0.000
C2	-1.171	-0.150	0.000
O3	1.239	-0.277	0.000
H4	0.302	1.508	0.000
H5	-1.150	-1.239	0.000
H6	-1.706	0.218	0.879
H7	-1.706	0.218	-0.879

	C1	C2	O3	H4	H5	H6	H7
C1		1.5056	1.2169	1.1083	2.1441	2.1338	2.1338
C2	1.5056		2.4130	2.2185	1.0885	1.0932	1.0932
O3	1.2169	2.4130		2.0165	2.5752	3.1128	3.1128
H4	1.1083	2.2185	2.0165		3.1074	2.5439	2.5439
H5	2.1441	1.0885	2.5752	3.1074		1.7898	1.7898
H6	2.1338	1.0932	3.1128	2.5439	1.7898		1.7588
H7	2.1338	1.0932	3.1128	2.5439	1.7898	1.7588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.458	C1	C2	H6	109.361
C1	C2	H7	109.361	C2	C1	O3	124.491
C2	C1	H4	115.304	O3	C1	H4	120.205
H5	C2	H6	110.243	H5	C2	H7	110.243
H6	C2	H7	107.107

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP4/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)