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	hartrees
Energy at 0K	-117.663796
Energy at 298.15K
HF Energy	-117.117479
Nuclear repulsion energy	70.846401

Atom	x (Å)	y (Å)	z (Å)
C1	-1.136	-0.501	0.000
C2	0.000	0.478	0.000
C3	1.288	0.143	0.000
H4	1.599	-0.895	0.000
H5	2.066	0.894	0.000
H6	-0.267	1.530	0.000
H7	-0.769	-1.527	0.000
H8	-1.770	-0.362	0.878
H9	-1.770	-0.362	-0.878

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4997	2.5080	2.7634	3.4927	2.2091	1.0900	1.0920	1.0920
C2	1.4997		1.3308	2.1075	2.1075	1.0853	2.1478	2.1473	2.1473
C3	2.5080	1.3308		1.0833	1.0813	2.0836	2.6497	3.2215	3.2215
H4	2.7634	2.1075	1.0833		1.8484	3.0596	2.4513	3.5223	3.5223
H5	3.4927	2.1075	1.0813	1.8484		2.4182	3.7282	4.1311	4.1311
H6	2.2091	1.0853	2.0836	3.0596	2.4182		3.0983	2.5714	2.5714
H7	1.0900	2.1478	2.6497	2.4513	3.7282	3.0983		1.7693	1.7693
H8	1.0920	2.1473	3.2215	3.5223	4.1311	2.5714	1.7693		1.7563
H9	1.0920	2.1473	3.2215	3.5223	4.1311	2.5714	1.7693	1.7563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.661	C1	C2	H6	116.518
C2	C1	H7	111.080	C2	C1	H8	110.920
C2	C1	H9	110.920	C2	C3	H4	121.283
C2	C3	H5	121.439	C3	C2	H6	118.821
H4	C3	H5	117.278	H7	C1	H8	108.359
H7	C1	H9	108.359	H8	C1	H9	107.060

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCD/aug-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: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)