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	hartrees
Energy at 0K	-117.780651
Energy at 298.15K
HF Energy	-117.124481
Nuclear repulsion energy	71.122470

Atom	x (Å)	y (Å)	z (Å)
C1	-1.132	-0.498	0.000
C2	0.000	0.476	0.000
C3	1.283	0.142	0.000
H4	1.593	-0.892	0.000
H5	2.059	0.890	0.000
H6	-0.265	1.524	0.000
H7	-0.767	-1.521	0.000
H8	-1.764	-0.360	0.875
H9	-1.764	-0.360	-0.875

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4929	2.4984	2.7529	3.4793	2.1997	1.0860	1.0880	1.0880
C2	1.4929		1.3259	2.0994	2.1000	1.0814	2.1390	2.1388	2.1388
C3	2.4984	1.3259		1.0794	1.0774	2.0755	2.6403	3.2098	3.2098
H4	2.7529	2.0994	1.0794		1.8420	3.0478	2.4426	3.5094	3.5094
H5	3.4793	2.1000	1.0774	1.8420		2.4088	3.7149	4.1158	4.1158
H6	2.1997	1.0814	2.0755	3.0478	2.4088		3.0861	2.5612	2.5612
H7	1.0860	2.1390	2.6403	2.4426	3.7149	3.0861		1.7625	1.7625
H8	1.0880	2.1388	3.2098	3.5094	4.1158	2.5612	1.7625		1.7491
H9	1.0880	2.1388	3.2098	3.5094	4.1158	2.5612	1.7625	1.7491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.726	C1	C2	H6	116.504
C2	C1	H7	111.103	C2	C1	H8	110.963
C2	C1	H9	110.963	C2	C3	H4	121.234
C2	C3	H5	121.457	C3	C2	H6	118.769
H4	C3	H5	117.310	H7	C1	H8	108.335
H7	C1	H9	108.335	H8	C1	H9	106.995

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD=FULL/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=FULL/cc-pVQZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)