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	hartrees
Energy at 0K	-191.362855
Energy at 298.15K
HF Energy	-190.767991
Nuclear repulsion energy	103.036232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3349	3116	7.97
2	A'	3295	3066	1.45
3	A'	3249	3023	4.31
4	A'	3037	2826	82.83
5	A'	1875	1745	152.63
6	A'	1746	1625	2.56
7	A'	1513	1408	7.59
8	A'	1447	1347	3.79
9	A'	1337	1244	2.42
10	A'	1212	1128	32.63
11	A'	953	887	16.09
12	A'	584	543	5.77
13	A'	325	302	11.10
14	A"	1050	977	8.66
15	A"	1030	958	17.58
16	A"	986	918	28.39
17	A"	609	566	8.96
18	A"	159	148	5.48

Atom	x (Å)	y (Å)
C1	-0.146	-0.750
C2	0.000	0.720
C3	1.211	1.286
O4	-1.217	-1.321
H5	0.802	-1.315
H6	-0.913	1.300
H7	1.345	2.357
H8	2.109	0.683

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.4774	2.4469	1.2134	1.1034	2.1880	3.4459	2.6718
C2	1.4774		1.3368	2.3763	2.1874	1.0809	2.1183	2.1095
C3	2.4469	1.3368		3.5624	2.6332	2.1237	1.0789	1.0819
O4	1.2134	2.3763	3.5624		2.0183	2.6380	4.4819	3.8828
H5	1.1034	2.1874	2.6332	2.0183		3.1263	3.7117	2.3877
H6	2.1880	1.0809	2.1237	2.6380	3.1263		2.4929	3.0840
H7	3.4459	2.1183	1.0789	4.4819	3.7117	2.4929		1.8400
H8	2.6718	2.1095	1.0819	3.8828	2.3877	3.0840	1.8400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.719	C1	C2	H6	116.731
C2	C1	O4	123.751	C2	C1	H5	115.136
C2	C3	H7	122.175	C2	C3	H8	121.062
C3	C2	H6	122.550	O4	C1	H5	121.113
H7	C3	H8	116.763

All results from a given calculation for CH₂CHCHO (Acrolein)

using model chemistry: MP3/6-31+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 CH2CHCHO (Acrolein)

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

States and conformations

All results from a given calculation for CH₂CHCHO (Acrolein)