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	hartrees
Energy at 0K	-153.538279
Energy at 298.15K	-153.542205
HF Energy	-152.972989
Nuclear repulsion energy	69.750594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3203	3022	4.93	38.59	0.73	0.85
2	A'	3073	2899	1.80	165.88	0.01	0.01
3	A'	2956	2789	101.06	147.33	0.29	0.45
4	A'	1778	1677	135.94	10.46	0.43	0.60
5	A'	1481	1398	22.57	9.28	0.56	0.72
6	A'	1431	1350	10.22	5.40	0.26	0.42
7	A'	1391	1312	20.34	1.46	0.72	0.84
8	A'	1143	1078	22.56	3.01	0.16	0.28
9	A'	905	854	6.90	5.39	0.30	0.46
10	A'	508	480	12.85	1.51	0.30	0.46
11	A"	3154	2976	3.94	53.62	0.75	0.86
12	A"	1492	1407	10.20	3.72	0.75	0.86
13	A"	1136	1072	0.01	1.11	0.75	0.86
14	A"	778	734	1.46	2.75	0.75	0.86
15	A"	158	149	1.44	0.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.462	0.000
C2	-0.938	-0.707	0.000
O3	1.208	0.369	0.000
H4	-0.479	1.459	0.000
H5	-0.387	-1.642	0.000
H6	-1.585	-0.650	0.877
H7	-1.585	-0.650	-0.877

	C1	C2	O3	H4	H5	H6	H7
C1		1.4983	1.2117	1.1062	2.1394	2.1250	2.1250
C2	1.4983		2.4010	2.2136	1.0859	1.0907	1.0907
O3	1.2117	2.4010		2.0082	2.5676	3.0997	3.0997
H4	1.1062	2.2136	2.0082		3.1025	2.5374	2.5374
H5	2.1394	1.0859	2.5676	3.1025		1.7852	1.7852
H6	2.1250	1.0907	3.0997	2.5374	1.7852		1.7531
H7	2.1250	1.0907	3.0997	2.5374	1.7852	1.7531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.747	C1	C2	H6	109.316
C1	C2	H7	109.316	C2	C1	O3	124.401
C2	C1	H4	115.581	O3	C1	H4	120.018
H5	C2	H6	110.207	H5	C2	H7	110.207
H6	C2	H7	106.965

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2/6-311+G(3df,2p)

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: MP2/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)