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	hartrees
Energy at 0K	-574.370435
Energy at 298.15K
HF Energy	-574.370435
Nuclear repulsion energy	140.253893

Atom	x (Å)	y (Å)	z (Å)
C1	-1.703	-0.811	0.035
C2	-1.337	0.460	-0.062
C3	0.047	1.004	0.076
Cl4	1.368	-0.332	-0.030
H5	-0.976	-1.591	0.233
H6	-2.740	-1.106	-0.082
H7	-2.079	1.234	-0.261
H8	0.295	1.704	-0.724
H9	0.208	1.477	1.048

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3261	2.5214	3.1085	1.0847	1.0844	2.1000	3.3009	3.1484
C2	1.3261		1.4931	2.8181	2.1035	2.1026	1.0904	2.1567	2.1567
C3	2.5214	1.4931		1.8815	2.7941	3.4989	2.1643	1.0922	1.0922
Cl4	3.1085	2.8181	1.8815		2.6738	4.1803	3.7922	2.4034	2.4034
H5	1.0847	2.1035	2.7941	2.6738		1.8564	3.0727	3.6598	3.3882
H6	1.0844	2.1026	3.4989	4.1803	1.8564		2.4379	4.1861	4.0789
H7	2.1000	1.0904	2.1643	3.7922	3.0727	2.4379		2.4641	2.6460
H8	3.3009	2.1567	1.0922	2.4034	3.6598	4.1861	2.4641		1.7885
H9	3.1484	2.1567	1.0922	2.4034	3.3882	4.0789	2.6460	1.7885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.754	C1	C2	H7	120.370
C2	C1	H5	121.182	C2	C1	H6	121.118
C2	C3	Cl4	112.744	C2	C3	H8	112.140
C2	C3	H9	112.138	C3	C2	H7	112.875
Cl4	C3	H8	104.705	Cl4	C3	H9	104.703
H5	C1	H6	117.700	H8	C3	H9	109.915

All results from a given calculation for C₃H₅Cl (1-Propene, 3-chloro-)

using model chemistry: HSEh1PBE/3-21G

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 C3H5Cl (1-Propene, 3-chloro-)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₃H₅Cl (1-Propene, 3-chloro-)