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	hartrees
Energy at 0K	-153.402249
Energy at 298.15K	-153.406160
HF Energy	-152.925328
Nuclear repulsion energy	69.445278

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'	3258	3060	6.12	44.37	0.74	0.85
2	A'	3120	2931	2.76	146.40	0.01	0.02
3	A'	3021	2837	109.50	147.37	0.32	0.49
4	A'	1774	1666	129.81	8.97	0.45	0.62
5	A'	1511	1419	22.15	13.10	0.67	0.81
6	A'	1455	1367	12.26	8.24	0.34	0.50
7	A'	1427	1340	16.72	3.28	0.68	0.81
8	A'	1163	1092	21.56	2.83	0.32	0.49
9	A'	921	865	6.13	5.68	0.39	0.56
10	A'	513	482	12.95	1.50	0.39	0.56
11	A"	3209	3014	5.68	61.20	0.75	0.86
12	A"	1518	1425	11.99	7.63	0.75	0.86
13	A"	1157	1087	0.00	0.85	0.75	0.86
14	A"	793	745	0.92	5.51	0.75	0.86
15	A"	139	131	1.34	1.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.462	0.000
C2	-0.951	-0.696	0.000
O3	1.221	0.356	0.000
H4	-0.465	1.463	0.000
H5	-0.405	-1.635	0.000
H6	-1.595	-0.637	0.878
H7	-1.595	-0.637	-0.878

	C1	C2	O3	H4	H5	H6	H7
C1		1.4989	1.2254	1.1035	2.1361	2.1263	2.1263
C2	1.4989		2.4136	2.2131	1.0857	1.0902	1.0902
O3	1.2254	2.4136		2.0166	2.5713	3.1119	3.1119
H4	1.1035	2.2131	2.0166		3.0984	2.5403	2.5403
H5	2.1361	1.0857	2.5713	3.0984		1.7838	1.7838
H6	2.1263	1.0902	3.1119	2.5403	1.7838		1.7556
H7	2.1263	1.0902	3.1119	2.5403	1.7838	1.7556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.457	C1	C2	H6	109.402
C1	C2	H7	109.402	C2	C1	O3	124.434
C2	C1	H4	115.675	O3	C1	H4	119.891
H5	C2	H6	110.128	H5	C2	H7	110.128
H6	C2	H7	107.262

All results from a given calculation for CH₃CHO (Acetaldehyde)

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

States and conformations

All results from a given calculation for CH₃CHO (Acetaldehyde)