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	hartrees
Energy at 0K	-153.391224
Energy at 298.15K	-153.395152
HF Energy	-152.920472
Nuclear repulsion energy	69.512237

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'	3269	3055	6.58	45.74	0.74	0.85
2	A'	3132	2926	2.02	110.43	0.01	0.03
3	A'	3009	2811	123.13	119.02	0.32	0.49
4	A'	1805	1687	98.20	4.33	0.58	0.74
5	A'	1524	1424	15.01	20.86	0.70	0.83
6	A'	1469	1372	11.82	10.10	0.55	0.71
7	A'	1433	1339	15.17	4.14	0.75	0.86
8	A'	1164	1088	21.93	3.44	0.44	0.62
9	A'	922	862	6.05	5.99	0.38	0.55
10	A'	512	478	13.18	1.31	0.46	0.63
11	A"	3220	3009	6.71	61.20	0.75	0.86
12	A"	1535	1435	8.76	14.16	0.75	0.86
13	A"	1166	1090	0.55	0.75	0.75	0.86
14	A"	797	745	0.55	7.44	0.75	0.86
15	A"	150	140	0.52	0.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.463	0.000
C2	-0.947	-0.701	0.000
O3	1.217	0.362	0.000
H4	-0.481	1.458	0.000
H5	-0.391	-1.632	0.000
H6	-1.592	-0.650	0.877
H7	-1.592	-0.650	-0.877

	C1	C2	O3	H4	H5	H6	H7
C1		1.5007	1.2214	1.1049	2.1315	2.1309	2.1309
C2	1.5007		2.4114	2.2087	1.0849	1.0894	1.0894
O3	1.2214	2.4114		2.0208	2.5617	3.1116	3.1116
H4	1.1049	2.2087	2.0208		3.0915	2.5389	2.5389
H5	2.1315	1.0849	2.5617	3.0915		1.7822	1.7822
H6	2.1309	1.0894	3.1116	2.5389	1.7822		1.7539
H7	2.1309	1.0894	3.1116	2.5389	1.7822	1.7539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.002	C1	C2	H6	109.688
C1	C2	H7	109.688	C2	C1	O3	124.387
C2	C1	H4	115.079	O3	C1	H4	120.533
H5	C2	H6	110.101	H5	C2	H7	110.101
H6	C2	H7	107.216

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)