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	hartrees
Energy at 0K	-153.608652
Energy at 298.15K	-153.612583
HF Energy	-152.977090
Nuclear repulsion energy	69.915515

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'	3199	3199	4.49	37.73	0.71	0.83
2	A'	3084	3084	1.66	181.17	0.01	0.01
3	A'	2950	2950	101.90	156.09	0.26	0.42
4	A'	1783	1783	136.08	10.91	0.41	0.58
5	A'	1488	1488	23.10	9.03	0.53	0.70
6	A'	1431	1431	9.94	5.30	0.24	0.38
7	A'	1399	1399	21.75	1.47	0.74	0.85
8	A'	1150	1150	21.42	2.87	0.16	0.27
9	A'	911	911	6.79	5.38	0.29	0.45
10	A'	506	506	12.86	1.48	0.28	0.44
11	A"	3151	3151	3.34	52.68	0.75	0.86
12	A"	1503	1503	10.11	3.51	0.75	0.86
13	A"	1147	1147	0.00	0.89	0.75	0.86
14	A"	784	784	1.48	2.75	0.75	0.86
15	A"	162	162	1.36	0.84	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.459	0.000
C2	-0.938	-0.702	0.000
O3	1.207	0.366	0.000
H4	-0.478	1.453	0.000
H5	-0.389	-1.636	0.000
H6	-1.582	-0.643	0.875
H7	-1.582	-0.643	-0.875

	C1	C2	O3	H4	H5	H6	H7
C1		1.4922	1.2105	1.1029	2.1310	2.1172	2.1172
C2	1.4922		2.3958	2.2034	1.0836	1.0886	1.0886
O3	1.2105	2.3958		2.0047	2.5605	3.0923	3.0923
H4	1.1029	2.2034	2.0047		3.0905	2.5254	2.5254
H5	2.1310	1.0836	2.5605	3.0905		1.7826	1.7826
H6	2.1172	1.0886	3.0923	2.5254	1.7826		1.7507
H7	2.1172	1.0886	3.0923	2.5254	1.7826	1.7507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.643	C1	C2	H6	109.246
C1	C2	H7	109.246	C2	C1	O3	124.535
C2	C1	H4	115.409	O3	C1	H4	120.055
H5	C2	H6	110.291	H5	C2	H7	110.291
H6	C2	H7	107.045

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2=FULL/daug-cc-pVTZ

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/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)