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	hartrees
Energy at 0K	-20.378945
Energy at 298.15K	-20.384459
HF Energy	-19.936391
Nuclear repulsion energy	40.087239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3218	3037
2	A'	3132	2956
3	A'	3119	2943
4	A'	3105	2930
5	A'	3010	2841
6	A'	1669	1575
7	A'	1517	1432
8	A'	1460	1378
9	A'	1425	1345
10	A'	1309	1235
11	A'	1192	1125
12	A'	941	888
13	A'	923	871
14	A'	418	395
15	A"	3084	2910
16	A"	1498	1414
17	A"	1067	1007
18	A"	986	930
19	A"	826	780
20	A"	559	527
21	A"	185	175

Atom	x (Å)	y (Å)	z (Å)
C1	-1.155	-0.499	0.000
C2	0.000	0.487	0.000
C3	1.308	0.133	0.000
H4	1.614	-0.916	0.000
H5	2.100	0.882	0.000
H6	-0.261	1.550	0.000
H7	-0.786	-1.534	0.000
H8	-1.791	-0.355	0.887
H9	-1.791	-0.355	-0.887

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5182	2.5422	2.8006	3.5353	2.2355	1.0987	1.1006	1.1006
C2	1.5182		1.3546	2.1384	2.1365	1.0952	2.1680	2.1684	2.1684
C3	2.5422	1.3546		1.0924	1.0903	2.1142	2.6762	3.2597	3.2597
H4	2.8006	2.1384	1.0924		1.8622	3.0980	2.4791	3.5634	3.5634
H5	3.5353	2.1365	1.0903	1.8622		2.4532	3.7637	4.1776	4.1776
H6	2.2355	1.0952	2.1142	3.0980	2.4532		3.1284	2.5993	2.5993
H7	1.0987	2.1680	2.6762	2.4791	3.7637	3.1284		1.7847	1.7847
H8	1.1006	2.1684	3.2597	3.5634	4.1776	2.5993	1.7847		1.7732
H9	1.1006	2.1684	3.2597	3.5634	4.1776	2.5993	1.7847	1.7732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.390	C1	C2	H6	116.680
C2	C1	H7	110.869	C2	C1	H8	110.781
C2	C1	H9	110.781	C2	C3	H4	121.454
C2	C3	H5	121.435	C3	C2	H6	118.930
H4	C3	H5	117.111	H7	C1	H8	108.486
H7	C1	H9	108.486	H8	C1	H9	107.324

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP4/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)