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	hartrees
Energy at 0K	-153.378467
Energy at 298.15K	-153.382391
HF Energy	-152.920318
Nuclear repulsion energy	69.445019

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'	3265	3058	6.79	45.96	0.74	0.85
2	A'	3129	2930	2.11	110.88	0.01	0.03
3	A'	3006	2816	123.40	119.56	0.32	0.49
4	A'	1801	1687	97.85	4.28	0.59	0.74
5	A'	1522	1426	14.84	20.97	0.70	0.83
6	A'	1467	1374	11.70	10.16	0.55	0.71
7	A'	1431	1340	14.75	4.12	0.75	0.86
8	A'	1162	1089	21.98	3.51	0.44	0.61
9	A'	921	862	6.03	6.07	0.38	0.55
10	A'	511	478	13.19	1.31	0.46	0.63
11	A"	3216	3011	6.96	61.52	0.75	0.86
12	A"	1533	1435	8.62	14.24	0.75	0.86
13	A"	1164	1090	0.51	0.75	0.75	0.86
14	A"	795	745	0.52	7.50	0.75	0.86
15	A"	149	140	0.53	0.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.464	0.000
C2	-0.948	-0.702	0.000
O3	1.218	0.363	0.000
H4	-0.481	1.460	0.000
H5	-0.390	-1.634	0.000
H6	-1.593	-0.651	0.878
H7	-1.593	-0.651	-0.878

	C1	C2	O3	H4	H5	H6	H7
C1		1.5025	1.2224	1.1058	2.1338	2.1332	2.1332
C2	1.5025		2.4135	2.2113	1.0861	1.0906	1.0906
O3	1.2224	2.4135		2.0227	2.5637	3.1144	3.1144
H4	1.1058	2.2113	2.0227		3.0948	2.5418	2.5418
H5	2.1338	1.0861	2.5637	3.0948		1.7842	1.7842
H6	2.1332	1.0906	3.1144	2.5418	1.7842		1.7559
H7	2.1332	1.0906	3.1144	2.5418	1.7842	1.7559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.991	C1	C2	H6	109.684
C1	C2	H7	109.684	C2	C1	O3	124.356
C2	C1	H4	115.095	O3	C1	H4	120.549
H5	C2	H6	110.106	H5	C2	H7	110.106
H6	C2	H7	107.225

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)