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	hartrees
Energy at 0K	-191.475746
Energy at 298.15K
HF Energy	-190.808142
Nuclear repulsion energy	102.312690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3243	3145
2	A'	3187	3091
3	A'	3143	3048
4	A'	2889	2801
5	A'	1727	1674
6	A'	1646	1597
7	A'	1449	1405
8	A'	1386	1344
9	A'	1285	1246
10	A'	1163	1128
11	A'	912	885
12	A'	562	545
13	A'	311	301
14	A"	1017	986
15	A"	996	966
16	A"	938	909
17	A"	593	575
18	A"	159	154

Atom	x (Å)	y (Å)
C1	-0.152	-0.752
C2	0.000	0.726
C3	1.224	1.291
O4	-1.227	-1.330
H5	0.813	-1.314
H6	-0.917	1.314
H7	1.364	2.370
H8	2.122	0.673

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.4860	2.4634	1.2205	1.1161	2.2032	3.4703	2.6836
C2	1.4860		1.3482	2.3941	2.1960	1.0895	2.1358	2.1230
C3	2.4634	1.3482		3.5884	2.6375	2.1416	1.0874	1.0905
O4	1.2205	2.3941	3.5884		2.0396	2.6615	4.5165	3.9022
H5	1.1161	2.1960	2.6375	2.0396		3.1462	3.7246	2.3796
H6	2.2032	1.0895	2.1416	2.6615	3.1462		2.5141	3.1066
H7	3.4703	2.1358	1.0874	4.5165	3.7246	2.5141		1.8584
H8	2.6836	2.1230	1.0905	3.9022	2.3796	3.1066	1.8584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.641	C1	C2	H6	116.780
C2	C1	O4	124.105	C2	C1	H5	114.366
C2	C3	H7	122.186	C2	C3	H8	120.672
C3	C2	H6	122.579	O4	C1	H5	121.529
H7	C3	H8	117.142

All results from a given calculation for CH₂CHCHO (Acrolein)

using model chemistry: MP4/6-311G**

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 CH2CHCHO (Acrolein)

using model chemistry: MP4/6-311G**

States and conformations

All results from a given calculation for CH₂CHCHO (Acrolein)