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	hartrees
Energy at 0K	-153.463518
Energy at 298.15K
HF Energy	-152.936295
Nuclear repulsion energy	68.918074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3144	3074
2	A	3092	3024
3	A	3019	2952
4	A	2918	2854
5	A	1749	1710
6	A	1452	1420
7	A	1443	1411
8	A	1404	1373
9	A	1360	1330
10	A	1122	1097
11	A	1109	1084
12	A	890	870
13	A	761	744
14	A	497	486
15	A	159	155

Atom	x (Å)	y (Å)	z (Å)
C1	0.231	0.406	0.000
C2	-1.179	-0.151	0.000
O3	1.246	-0.280	-0.000
H4	0.311	1.523	0.000
H5	-1.159	-1.253	0.001
H6	-1.719	0.223	0.890
H7	-1.719	0.222	-0.891

	C1	C2	O3	H4	H5	H6	H7
C1		1.5166	1.2250	1.1202	2.1644	2.1520	2.1520
C2	1.5166		2.4288	2.2415	1.1020	1.1068	1.1068
O3	1.2250	2.4288		2.0316	2.5943	3.1370	3.1366
H4	1.1202	2.2415	2.0316		3.1414	2.5698	2.5702
H5	2.1644	1.1020	2.5943	3.1414		1.8128	1.8128
H6	2.1520	1.1068	3.1370	2.5698	1.8128		1.7814
H7	2.1520	1.1068	3.1366	2.5702	1.8128	1.7814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.500	C1	C2	H6	109.237
C1	C2	H7	109.237	C2	C1	O3	124.383
C2	C1	H4	115.628	O3	C1	H4	119.989
H5	C2	H6	110.312	H5	C2	H7	110.312
H6	C2	H7	107.172

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: QCISD(T)/aug-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: QCISD(T)/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)