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	hartrees
Energy at 0K	-153.389076
Energy at 298.15K	-153.392984
HF Energy	-152.925172
Nuclear repulsion energy	69.377383

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'	3253	3060	6.32	44.59	0.74	0.85
2	A'	3117	2932	2.86	147.02	0.01	0.02
3	A'	3018	2838	109.86	147.99	0.32	0.49
4	A'	1770	1665	129.58	8.93	0.45	0.62
5	A'	1509	1419	21.95	13.15	0.68	0.81
6	A'	1453	1367	12.11	8.31	0.34	0.50
7	A'	1425	1340	16.25	3.28	0.68	0.81
8	A'	1162	1093	21.65	2.89	0.32	0.48
9	A'	920	865	6.12	5.77	0.39	0.56
10	A'	512	482	12.97	1.51	0.39	0.56
11	A"	3204	3014	5.92	61.51	0.75	0.86
12	A"	1515	1425	11.82	7.68	0.75	0.86
13	A"	1155	1087	0.01	0.85	0.75	0.86
14	A"	792	745	0.89	5.55	0.75	0.86
15	A"	140	131	1.35	1.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.463	0.000
C2	-0.952	-0.698	0.000
O3	1.222	0.357	0.000
H4	-0.467	1.464	0.000
H5	-0.405	-1.637	0.000
H6	-1.596	-0.638	0.879
H7	-1.596	-0.638	-0.879

	C1	C2	O3	H4	H5	H6	H7
C1		1.5008	1.2263	1.1045	2.1385	2.1287	2.1287
C2	1.5008		2.4159	2.2153	1.0869	1.0914	1.0914
O3	1.2263	2.4159		2.0187	2.5735	3.1149	3.1149
H4	1.1045	2.2153	2.0187		3.1015	2.5429	2.5429
H5	2.1385	1.0869	2.5735	3.1015		1.7858	1.7858
H6	2.1287	1.0914	3.1149	2.5429	1.7858		1.7577
H7	2.1287	1.0914	3.1149	2.5429	1.7858	1.7577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.442	C1	C2	H6	109.399
C1	C2	H7	109.399	C2	C1	O3	124.419
C2	C1	H4	115.658	O3	C1	H4	119.922
H5	C2	H6	110.135	H5	C2	H7	110.135
H6	C2	H7	107.271

All results from a given calculation for CH₃CHO (Acetaldehyde)

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

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)