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	hartrees
Energy at 0K	-153.397888
Energy at 298.15K
HF Energy	-152.913277
Nuclear repulsion energy	69.247156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3172	3172
2	A	3121	3121
3	A	3052	3052
4	A	2935	2935
5	A	1807	1807
6	A	1515	1515
7	A	1509	1509
8	A	1453	1453
9	A	1424	1424
10	A	1153	1153
11	A	1153	1153
12	A	914	914
13	A	789	789
14	A	510	510
15	A	144	144

Atom	x (Å)	y (Å)	z (Å)
C1	0.229	0.406	0.000
C2	-1.173	-0.150	0.000
O3	1.241	-0.279	-0.000
H4	0.302	1.517	0.000
H5	-1.138	-1.244	0.001
H6	-1.717	0.210	0.885
H7	-1.717	0.209	-0.885

	C1	C2	O3	H4	H5	H6	H7
C1		1.5081	1.2216	1.1131	2.1424	2.1469	2.1469
C2	1.5081		2.4174	2.2255	1.0945	1.0992	1.0992
O3	1.2216	2.4174		2.0257	2.5672	3.1261	3.1256
H4	1.1131	2.2255	2.0257		3.1134	2.5627	2.5632
H5	2.1424	1.0945	2.5672	3.1134		1.7973	1.7973
H6	2.1469	1.0992	3.1261	2.5627	1.7973		1.7699
H7	2.1469	1.0992	3.1256	2.5632	1.7973	1.7699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.784	C1	C2	H6	109.860
C1	C2	H7	109.860	C2	C1	O3	124.307
C2	C1	H4	115.384	O3	C1	H4	120.309
H5	C2	H6	110.030	H5	C2	H7	110.030
H6	C2	H7	107.241

All results from a given calculation for CH₃CHO (Acetaldehyde)

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

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/6-31G*

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)