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	hartrees
Energy at 0K	-153.413194
Energy at 298.15K	-153.417123
HF Energy	-152.949485
Nuclear repulsion energy	69.520003

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'	3206	3047	8.03	48.90	0.74	0.85
2	A'	3078	2925	2.53	128.23	0.01	0.02
3	A'	2956	2809	134.40	154.13	0.33	0.49
4	A'	1792	1703	112.13	6.01	0.74	0.85
5	A'	1504	1430	23.86	16.14	0.67	0.80
6	A'	1452	1380	13.72	9.02	0.47	0.64
7	A'	1415	1345	26.34	3.35	0.60	0.75
8	A'	1155	1098	22.62	2.44	0.35	0.52
9	A'	911	865	6.12	5.88	0.41	0.58
10	A'	514	488	12.65	1.62	0.46	0.63
11	A"	3159	3002	7.67	64.19	0.75	0.86
12	A"	1509	1434	13.67	10.11	0.75	0.86
13	A"	1153	1095	0.24	0.94	0.75	0.86
14	A"	788	749	1.25	6.27	0.75	0.86
15	A"	155	147	0.51	1.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.464	0.000
C2	-0.941	-0.712	0.000
O3	1.210	0.376	0.000
H4	-0.487	1.462	0.000
H5	-0.375	-1.643	0.000
H6	-1.589	-0.668	0.880
H7	-1.589	-0.668	-0.880

	C1	C2	O3	H4	H5	H6	H7
C1		1.5057	1.2136	1.1105	2.1401	2.1405	2.1405
C2	1.5057		2.4106	2.2208	1.0896	1.0943	1.0943
O3	1.2136	2.4106		2.0148	2.5673	3.1151	3.1151
H4	1.1105	2.2208	2.0148		3.1072	2.5548	2.5548
H5	2.1401	1.0896	2.5673	3.1072		1.7891	1.7891
H6	2.1405	1.0943	3.1151	2.5548	1.7891		1.7603
H7	2.1405	1.0943	3.1151	2.5548	1.7891	1.7603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.059	C1	C2	H6	109.814
C1	C2	H7	109.814	C2	C1	O3	124.521
C2	C1	H4	115.343	O3	C1	H4	120.136
H5	C2	H6	110.011	H5	C2	H7	110.011
H6	C2	H7	107.083

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)