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	hartrees
Energy at 0K	-576.534887
Energy at 298.15K
HF Energy	-575.983930
Nuclear repulsion energy	141.582686

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.449	0.000
C2	0.918	-0.524	0.000
C3	2.390	-0.247	0.000
Cl4	-1.707	0.149	0.000
H5	0.251	1.501	0.000
H6	0.591	-1.558	0.000
H7	2.590	0.824	0.000
H8	2.866	-0.683	0.879
H9	2.866	-0.683	-0.879

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3374	2.4895	1.7327	1.0813	2.0923	2.6167	3.2048	3.2048
C2	1.3374		1.4984	2.7090	2.1317	1.0843	2.1478	2.1437	2.1437
C3	2.4895	1.4984		4.1158	2.7625	2.2260	1.0896	1.0909	1.0909
Cl4	1.7327	2.7090	4.1158		2.3790	2.8623	4.3490	4.7303	4.7303
H5	1.0813	2.1317	2.7625	2.3790		3.0776	2.4347	3.5190	3.5190
H6	2.0923	1.0843	2.2260	2.8623	3.0776		3.1094	2.5910	2.5910
H7	2.6167	2.1478	1.0896	4.3490	2.4347	3.1094		1.7670	1.7670
H8	3.2048	2.1437	1.0909	4.7303	3.5190	2.5910	1.7670		1.7586
H9	3.2048	2.1437	1.0909	4.7303	3.5190	2.5910	1.7670	1.7586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.672	C1	C2	H6	119.159
C2	C1	Cl4	123.345	C2	C1	H5	123.259
C2	C3	H7	111.201	C2	C3	H8	110.785
C2	C3	H9	110.785	C3	C2	H6	118.169
Cl4	C1	H5	113.396	H7	C3	H8	108.261
H7	C3	H9	108.261	H8	C3	H9	107.414

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(E))

using model chemistry: MP2/6-31+G**

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-chloro-1-propene(E))

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(E))