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	hartrees
Energy at 0K	-188.596250
Energy at 298.15K
HF Energy	-188.292942
Nuclear repulsion energy	99.575429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3525	3525
2	A'	3436	3436
3	A'	3378	3378
4	A'	3181	3181
5	A'	1775	1775
6	A'	1715	1715
7	A'	1549	1549
8	A'	1448	1448
9	A'	1383	1383
10	A'	1198	1198
11	A'	955	955
12	A'	551	551
13	A'	312	312
14	A"	1089	1089
15	A"	967	967
16	A"	941	941
17	A"	599	599
18	A"	145	145

Atom	x (Å)	y (Å)
C1	-0.129	-0.782
C2	0.000	0.749
C3	1.208	1.368
O4	-1.233	-1.411
H5	0.872	-1.312
H6	-0.944	1.329
H7	1.309	2.469
H8	2.149	0.787

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.5362	2.5317	1.2713	1.1326	2.2625	3.5540	2.7660
C2	1.5362		1.3576	2.4874	2.2381	1.1077	2.1611	2.1497
C3	2.5317	1.3576		3.6993	2.7013	2.1525	1.1048	1.1061
O4	1.2713	2.4874	3.6993		2.1077	2.7550	4.6384	4.0341
H5	1.1326	2.2381	2.7013	2.1077		3.2050	3.8057	2.4573
H6	2.2625	1.1077	2.1525	2.7550	3.2050		2.5250	3.1404
H7	3.5540	2.1611	1.1048	4.6384	3.8057	2.5250		1.8794
H8	2.7660	2.1497	1.1061	4.0341	2.4573	3.1404	1.8794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.933	C1	C2	H6	116.753
C2	C1	O4	124.470	C2	C1	H5	113.122
C2	C3	H7	122.382	C2	C3	H8	121.178
C3	C2	H6	121.314	O4	C1	H5	122.407
H7	C3	H8	116.439

All results from a given calculation for CH₂CHCHO (Acrolein)

using model chemistry: MP4/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for CH₂CHCHO (Acrolein)