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	hartrees
Energy at 0K	-153.155683
Energy at 298.15K	-153.159618
HF Energy	-152.838893
Nuclear repulsion energy	68.343513

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'	3182	3023	12.05	46.27	0.75	0.85
2	A'	3061	2909	3.72	123.58	0.01	0.02
3	A'	3010	2860	111.72	121.07	0.36	0.53
4	A'	1650	1568	46.82	1.38	0.75	0.86
5	A'	1541	1464	24.15	23.67	0.72	0.84
6	A'	1467	1394	25.07	5.34	0.71	0.83
7	A'	1455	1382	2.91	14.36	0.61	0.76
8	A'	1171	1113	23.71	4.75	0.53	0.69
9	A'	926	880	7.24	6.97	0.35	0.51
10	A'	513	487	12.74	1.95	0.49	0.66
11	A"	3138	2982	10.86	65.47	0.75	0.86
12	A"	1548	1470	12.35	18.60	0.75	0.86
13	A"	1175	1117	0.14	0.25	0.75	0.86
14	A"	816	776	1.85	8.74	0.75	0.86
15	A"	148	141	0.61	1.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.472	0.000
C2	-0.981	-0.682	0.000
O3	1.252	0.334	0.000
H4	-0.442	1.484	0.000
H5	-0.431	-1.630	0.000
H6	-1.628	-0.630	0.887
H7	-1.628	-0.630	-0.887

	C1	C2	O3	H4	H5	H6	H7
C1		1.5141	1.2595	1.1050	2.1453	2.1571	2.1571
C2	1.5141		2.4528	2.2319	1.0957	1.0999	1.0999
O3	1.2595	2.4528		2.0481	2.5863	3.1643	3.1643
H4	1.1050	2.2319	2.0481		3.1140	2.5815	2.5815
H5	2.1453	1.0957	2.5863	3.1140		1.7944	1.7944
H6	2.1571	1.0999	3.1643	2.5815	1.7944		1.7749
H7	2.1571	1.0999	3.1643	2.5815	1.7944	1.7749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.534	C1	C2	H6	110.217
C1	C2	H7	110.217	C2	C1	O3	124.082
C2	C1	H4	116.022	O3	C1	H4	119.896
H5	C2	H6	109.632	H5	C2	H7	109.632
H6	C2	H7	107.581

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2=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: MP2=FULL/6-31G

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)