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	hartrees
Energy at 0K	-117.576944
Energy at 298.15K
HF Energy	-117.084617
Nuclear repulsion energy	69.912411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3249	3174
2	A'	3166	3093
3	A'	3155	3083
4	A'	3135	3063
5	A'	3048	2977
6	A'	1718	1678
7	A'	1541	1506
8	A'	1485	1451
9	A'	1449	1416
10	A'	1342	1311
11	A'	1214	1186
12	A'	964	941
13	A'	944	922
14	A'	426	416
15	A"	3115	3043
16	A"	1526	1491
17	A"	1091	1066
18	A"	1018	994
19	A"	906	885
20	A"	583	569
21	A"	195	191

Atom	x (Å)	y (Å)	z (Å)
C1	-1.154	-0.494	0.000
C2	0.000	0.484	0.000
C3	1.308	0.130	0.000
H4	1.612	-0.925	0.000
H5	2.104	0.884	0.000
H6	-0.259	1.554	0.000
H7	-0.789	-1.537	0.000
H8	-1.795	-0.348	0.890
H9	-1.795	-0.348	-0.890

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5131	2.5400	2.7994	3.5371	2.2350	1.1048	1.1064	1.1064
C2	1.5131		1.3550	2.1410	2.1411	1.1004	2.1697	2.1694	2.1694
C3	2.5400	1.3550		1.0980	1.0959	2.1171	2.6789	3.2631	3.2631
H4	2.7994	2.1410	1.0980		1.8743	3.1055	2.4778	3.5679	3.5679
H5	3.5371	2.1411	1.0959	1.8743		2.4557	3.7718	4.1840	4.1840
H6	2.2350	1.1004	2.1171	3.1055	2.4557		3.1357	2.6016	2.6016
H7	1.1048	2.1697	2.6789	2.4778	3.7718	3.1357		1.7935	1.7935
H8	1.1064	2.1694	3.2631	3.5679	4.1840	2.6016	1.7935		1.7804
H9	1.1064	2.1694	3.2631	3.5679	4.1840	2.6016	1.7935	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.564	C1	C2	H6	116.675
C2	C1	H7	110.991	C2	C1	H8	110.872
C2	C1	H9	110.872	C2	C3	H4	121.220
C2	C3	H5	121.401	C3	C2	H6	118.761
H4	C3	H5	117.378	H7	C1	H8	108.414
H7	C1	H9	108.414	H8	C1	H9	107.147

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP4/aug-cc-pVDZ

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 CH2CHCH3 (Propene)

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)