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	hartrees
Energy at 0K	-117.811078
Energy at 298.15K
HF Energy	-117.124464
Nuclear repulsion energy	70.939518

Atom	x (Å)	y (Å)	z (Å)
C1	-1.136	-0.493	0.000
C2	0.000	0.478	0.000
C3	1.287	0.134	0.000
H4	1.589	-0.905	0.000
H5	2.071	0.878	0.000
H6	-0.260	1.531	0.000
H7	-0.771	-1.518	0.000
H8	-1.768	-0.352	0.877
H9	-1.768	-0.352	-0.877

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4945	2.5031	2.7564	3.4872	2.2052	1.0885	1.0903	1.0903
C2	1.4945		1.3326	2.1072	2.1087	1.0842	2.1405	2.1415	2.1415
C3	2.5031	1.3326		1.0822	1.0800	2.0846	2.6398	3.2161	3.2161
H4	2.7564	2.1072	1.0822		1.8467	3.0586	2.4391	3.5143	3.5143
H5	3.4872	2.1087	1.0800	1.8467		2.4204	3.7172	4.1255	4.1255
H6	2.2052	1.0842	2.0846	3.0586	2.4204		3.0919	2.5671	2.5671
H7	1.0885	2.1405	2.6398	2.4391	3.7172	3.0919		1.7673	1.7673
H8	1.0903	2.1415	3.2161	3.5143	4.1255	2.5671	1.7673		1.7537
H9	1.0903	2.1415	3.2161	3.5143	4.1255	2.5671	1.7673	1.7537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.501	C1	C2	H6	116.650
C2	C1	H7	110.952	C2	C1	H8	110.921
C2	C1	H9	110.921	C2	C3	H4	121.179
C2	C3	H5	121.510	C3	C2	H6	118.849
H4	C3	H5	117.311	H7	C1	H8	108.419
H7	C1	H9	108.419	H8	C1	H9	107.073

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)