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	hartrees
Energy at 0K	-153.442740
Energy at 298.15K
HF Energy	-152.925339
Nuclear repulsion energy	69.326191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3213	3213
2	A	3161	3161
3	A	3084	3084
4	A	2987	2987
5	A	1783	1783
6	A	1510	1510
7	A	1506	1506
8	A	1449	1449
9	A	1422	1422
10	A	1153	1153
11	A	1146	1146
12	A	911	911
13	A	786	786
14	A	510	510
15	A	138	138

Atom	x (Å)	y (Å)	z (Å)
C1	0.226	0.406	0.000
C2	-1.173	-0.151	0.000
O3	1.242	-0.278	-0.000
H4	0.305	1.508	0.000
H5	-1.147	-1.238	0.001
H6	-1.709	0.214	0.880
H7	-1.708	0.212	-0.881

	C1	C2	O3	H4	H5	H6	H7
C1		1.5058	1.2243	1.1051	2.1422	2.1347	2.1347
C2	1.5058		2.4183	2.2212	1.0882	1.0928	1.0928
O3	1.2243	2.4183		2.0171	2.5749	3.1184	3.1179
H4	1.1051	2.2212	2.0171		3.1064	2.5503	2.5510
H5	2.1422	1.0882	2.5749	3.1064		1.7878	1.7878
H6	2.1347	1.0928	3.1184	2.5503	1.7878		1.7608
H7	2.1347	1.0928	3.1179	2.5510	1.7878	1.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.311	C1	C2	H6	109.441
C1	C2	H7	109.441	C2	C1	O3	124.383
C2	C1	H4	115.733	O3	C1	H4	119.885
H5	C2	H6	110.121	H5	C2	H7	110.122
H6	C2	H7	107.350

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: QCISD(T)=FULL/6-31+G**

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)=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)