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	hartrees
Energy at 0K	-117.668539
Energy at 298.15K
HF Energy	-117.124494
Nuclear repulsion energy	70.999553

Atom	x (Å)	y (Å)	z (Å)
C1	-1.135	-0.491	0.000
C2	0.000	0.479	0.000
C3	1.286	0.132	0.000
H4	1.583	-0.908	0.000
H5	2.069	0.876	0.000
H6	-0.255	1.532	0.000
H7	-0.771	-1.516	0.000
H8	-1.767	-0.351	0.876
H9	-1.767	-0.351	-0.876

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4929	2.4996	2.7489	3.4827	2.2066	1.0877	1.0894	1.0894
C2	1.4929		1.3320	2.1044	2.1062	1.0840	2.1389	2.1395	2.1395
C3	2.4996	1.3320		1.0816	1.0796	2.0826	2.6356	3.2126	3.2126
H4	2.7489	2.1044	1.0816		1.8489	3.0553	2.4304	3.5068	3.5068
H5	3.4827	2.1062	1.0796	1.8489		2.4148	3.7125	4.1209	4.1209
H6	2.2066	1.0840	2.0826	3.0553	2.4148		3.0920	2.5687	2.5687
H7	1.0877	2.1389	2.6356	2.4304	3.7125	3.0920		1.7660	1.7660
H8	1.0894	2.1395	3.2126	3.5068	4.1209	2.5687	1.7660		1.7516
H9	1.0894	2.1395	3.2126	3.5068	4.1209	2.5687	1.7660	1.7516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.363	C1	C2	H6	116.915
C2	C1	H7	110.985	C2	C1	H8	110.929
C2	C1	H9	110.929	C2	C3	H4	121.010
C2	C3	H5	121.353	C3	C2	H6	118.722
H4	C3	H5	117.637	H7	C1	H8	108.423
H7	C1	H9	108.423	H8	C1	H9	107.014

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2/aug-cc-pVQZ

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: MP2/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)