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	hartrees
Energy at 0K	-117.750438
Energy at 298.15K
HF Energy	-117.117475
Nuclear repulsion energy	70.864295

Atom	x (Å)	y (Å)	z (Å)
C1	-1.138	-0.494	0.000
C2	0.000	0.478	0.000
C3	1.289	0.136	0.000
H4	1.592	-0.904	0.000
H5	2.071	0.881	0.000
H6	-0.261	1.530	0.000
H7	-0.771	-1.521	0.000
H8	-1.771	-0.354	0.878
H9	-1.771	-0.354	-0.878

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4962	2.5070	2.7604	3.4909	2.2055	1.0903	1.0918	1.0918
C2	1.4962		1.3340	2.1084	2.1100	1.0839	2.1424	2.1449	2.1449
C3	2.5070	1.3340		1.0825	1.0806	2.0855	2.6433	3.2210	3.2210
H4	2.7604	2.1084	1.0825		1.8481	3.0594	2.4425	3.5190	3.5190
H5	3.4909	2.1100	1.0806	1.8481		2.4211	3.7212	4.1303	4.1303
H6	2.2055	1.0839	2.0855	3.0594	2.4211		3.0931	2.5694	2.5694
H7	1.0903	2.1424	2.6433	2.4425	3.7212	3.0931		1.7695	1.7695
H8	1.0918	2.1449	3.2210	3.5190	4.1303	2.5694	1.7695		1.7569
H9	1.0918	2.1449	3.2210	3.5190	4.1303	2.5694	1.7695	1.7569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.596	C1	C2	H6	116.565
C2	C1	H7	110.871	C2	C1	H8	110.980
C2	C1	H9	110.980	C2	C3	H4	121.149
C2	C3	H5	121.466	C3	C2	H6	118.839
H4	C3	H5	117.385	H7	C1	H8	108.369
H7	C1	H9	108.369	H8	C1	H9	107.139

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD(T)=FULL/daug-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: QCISD(T)=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)