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	hartrees
Energy at 0K	-117.682174
Energy at 298.15K
HF Energy	-117.115956
Nuclear repulsion energy	70.665860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3235	3135
2	A'	3153	3056
3	A'	3139	3043
4	A'	3117	3021
5	A'	3030	2937
6	A'	1689	1637
7	A'	1501	1455
8	A'	1453	1409
9	A'	1405	1362
10	A'	1319	1278
11	A'	1190	1153
12	A'	941	912
13	A'	931	902
14	A'	417	405
15	A"	3095	3000
16	A"	1488	1442
17	A"	1067	1034
18	A"	1019	987
19	A"	925	897
20	A"	585	567
21	A"	205	198

Atom	x (Å)	y (Å)	z (Å)
C1	-1.141	-0.495	0.000
C2	0.000	0.481	0.000
C3	1.293	0.135	0.000
H4	1.594	-0.907	0.000
H5	2.077	0.882	0.000
H6	-0.259	1.536	0.000
H7	-0.775	-1.524	0.000
H8	-1.775	-0.355	0.879
H9	-1.775	-0.355	-0.879

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5015	2.5143	2.7660	3.5003	2.2147	1.0916	1.0933	1.0933
C2	1.5015		1.3386	2.1138	2.1156	1.0869	2.1492	2.1505	2.1505
C3	2.5143	1.3386		1.0848	1.0827	2.0915	2.6511	3.2296	3.2296
H4	2.7660	2.1138	1.0848		1.8529	3.0671	2.4481	3.5260	3.5260
H5	3.5003	2.1156	1.0827	1.8529		2.4267	3.7311	4.1409	4.1409
H6	2.2147	1.0869	2.0915	3.0671	2.4267		3.1033	2.5789	2.5789
H7	1.0916	2.1492	2.6511	2.4481	3.7311	3.1033		1.7718	1.7718
H8	1.0933	2.1505	3.2296	3.5260	4.1409	2.5789	1.7718		1.7585
H9	1.0933	2.1505	3.2296	3.5260	4.1409	2.5789	1.7718	1.7585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.474	C1	C2	H6	116.744
C2	C1	H7	110.967	C2	C1	H8	110.968
C2	C1	H9	110.968	C2	C3	H4	121.089
C2	C3	H5	121.428	C3	C2	H6	118.781
H4	C3	H5	117.483	H7	C1	H8	108.366
H7	C1	H9	108.366	H8	C1	H9	107.066

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP4/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)