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	hartrees
Energy at 0K	-153.417372
Energy at 298.15K
HF Energy	-152.926657
Nuclear repulsion energy	69.724296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3259	3036	8.41
2	A'	3130	2916	3.51
3	A'	3049	2840	95.14
4	A'	1878	1749	158.08
5	A'	1522	1417	18.81
6	A'	1479	1377	14.02
7	A'	1442	1343	13.39
8	A'	1171	1091	22.74
9	A'	930	867	4.89
10	A'	521	486	15.39
11	A"	3207	2988	8.52
12	A"	1525	1420	10.94
13	A"	1173	1093	0.00
14	A"	802	747	0.65
15	A"	143	133	1.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.463	0.000
C2	-0.941	-0.707	0.000
O3	1.209	0.369	0.000
H4	-0.472	1.458	0.000
H5	-0.384	-1.638	0.000
H6	-1.584	-0.656	0.878
H7	-1.584	-0.656	-0.878

	C1	C2	O3	H4	H5	H6	H7
C1		1.5015	1.2124	1.1011	2.1360	2.1291	2.1291
C2	1.5015		2.4037	2.2149	1.0849	1.0895	1.0895
O3	1.2124	2.4037		2.0031	2.5618	3.1018	3.1018
H4	1.1011	2.2149	2.0031		3.0970	2.5445	2.5445
H5	2.1360	1.0849	2.5618	3.0970		1.7821	1.7821
H6	2.1291	1.0895	3.1018	2.5445	1.7821		1.7554
H7	2.1291	1.0895	3.1018	2.5445	1.7821	1.7554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.312	C1	C2	H6	109.486
C1	C2	H7	109.486	C2	C1	O3	124.325
C2	C1	H4	115.793	O3	C1	H4	119.882
H5	C2	H6	110.085	H5	C2	H7	110.085
H6	C2	H7	107.332

All results from a given calculation for CH₃CHO (Acetaldehyde)

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)