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	hartrees
Energy at 0K	-615.765407
Energy at 298.15K
HF Energy	-615.024437
Nuclear repulsion energy	213.988146

Atom	x (Å)	y (Å)	z (Å)
H1	0.338	2.626	0.000
Cl2	-1.292	-0.671	0.000
C3	1.854	-1.228	0.000
C4	-0.501	1.934	0.000
H5	-1.114	2.123	0.880
H6	-1.114	2.123	-0.880
C7	0.000	0.521	0.000
C8	1.284	0.158	0.000
H9	2.004	0.969	0.000
H10	1.073	-1.982	0.000
H11	2.482	-1.379	-0.879
H12	2.482	-1.379	0.879

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6785	4.1411	1.0880	1.7710	1.7710	2.1322	2.6433	2.3499	4.6660	4.6264	4.6264
Cl2	3.6785		3.1952	2.7226	2.9352	2.9352	1.7583	2.7067	3.6820	2.7040	3.9389	3.9389
C3	4.1411	3.1952		3.9424	4.5621	4.5621	2.5484	1.4981	2.2017	1.0857	1.0902	1.0902
C4	1.0880	2.7226	3.9424		1.0890	1.0890	1.4993	2.5183	2.6848	4.2201	4.5433	4.5433
H5	1.7710	2.9352	4.5621	1.0890		1.7598	2.1409	3.2232	3.4396	4.7337	5.3183	5.0192
H6	1.7710	2.9352	4.5621	1.0890	1.7598		2.1409	3.2232	3.4396	4.7337	5.0192	5.3183
C7	2.1322	1.7583	2.5484	1.4993	2.1409	2.1409		1.3344	2.0536	2.7228	3.2462	3.2462
C8	2.6433	2.7067	1.4981	2.5183	3.2232	3.2232	1.3344		1.0845	2.1500	2.1369	2.1369
H9	2.3499	3.6820	2.2017	2.6848	3.4396	3.4396	2.0536	1.0845		3.0941	2.5515	2.5515
H10	4.6660	2.7040	1.0857	4.2201	4.7337	4.7337	2.7228	2.1500	3.0941		1.7664	1.7664
H11	4.6264	3.9389	1.0902	4.5433	5.3183	5.0192	3.2462	2.1369	2.5515	1.7664		1.7570
H12	4.6264	3.9389	1.0902	4.5433	5.0192	5.3183	3.2462	2.1369	2.5515	1.7664	1.7570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.882	H1	C4	H6	108.882
H1	C4	C7	109.978	Cl2	C7	C4	113.155
Cl2	C7	C8	121.529	C3	C8	C7	128.137
C3	C8	H9	116.049	C4	C7	C8	125.315
H5	C4	H6	107.808	H5	C4	C7	110.616
H6	C4	C7	110.616	C7	C8	H9	115.814
C8	C3	H10	111.635	C8	C3	H11	110.303
C8	C3	H12	110.303	H10	C3	H11	108.545
H10	C3	H12	108.545	H11	C3	H12	107.387

All results from a given calculation for CH₃CClCHCH₃ (2-Butene, 2-chloro-, (Z)-)

using model chemistry: MP3/6-31+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 CH3CClCHCH3 (2-Butene, 2-chloro-, (Z)-)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for CH₃CClCHCH₃ (2-Butene, 2-chloro-, (Z)-)