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	hartrees
Energy at 0K	-117.579007
Energy at 298.15K
HF Energy	-117.085236
Nuclear repulsion energy	69.925773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3233	3233
2	A'	3149	3149
3	A'	3132	3132
4	A'	3105	3105
5	A'	3012	3012
6	A'	1676	1676
7	A'	1478	1478
8	A'	1438	1438
9	A'	1385	1385
10	A'	1306	1306
11	A'	1178	1178
12	A'	928	928
13	A'	925	925
14	A'	413	413
15	A"	3083	3083
16	A"	1460	1460
17	A"	1050	1050
18	A"	1002	1002
19	A"	924	924
20	A"	572	572
21	A"	199	199

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	-0.924	0.000
H5	2.103	0.883	0.000
H6	-0.259	1.553	0.000
H7	-0.790	-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		1.5130	2.5399	2.7996	3.5365	2.2339	1.1041	1.1059	1.1059
C2	1.5130		1.3551	2.1409	2.1407	1.0995	2.1697	2.1688	2.1688
C3	2.5399	1.3551		1.0974	1.0952	2.1167	2.6793	3.2627	3.2627
H4	2.7996	2.1409	1.0974		1.8728	3.1046	2.4790	3.5679	3.5679
H5	3.5365	2.1407	1.0952	1.8728		2.4557	3.7716	4.1832	4.1832
H6	2.2339	1.0995	2.1167	3.1046	2.4557		3.1345	2.5999	2.5999
H7	1.1041	2.1697	2.6793	2.4790	3.7716	3.1345		1.7927	1.7927
H8	1.1059	2.1688	3.2627	3.5679	4.1832	2.5999	1.7927		1.7791
H9	1.1059	2.1688	3.2627	3.5679	4.1832	2.5999	1.7927	1.7791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.554	C1	C2	H6	116.650
C2	C1	H7	111.036	C2	C1	H8	110.860
C2	C1	H9	110.860	C2	C3	H4	121.252
C2	C3	H5	121.414	C3	C2	H6	118.796
H4	C3	H5	117.334	H7	C1	H8	108.424
H7	C1	H9	108.424	H8	C1	H9	107.103

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP4/daug-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/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)