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	hartrees
Energy at 0K	-615.757845
Energy at 298.15K
HF Energy	-615.017743
Nuclear repulsion energy	203.707028

Atom	x (Å)	y (Å)	z (Å)
C1	1.912	-1.680	0.000
H2	2.458	-2.621	0.000
H3	2.213	-1.116	0.882
H4	2.213	-1.116	-0.882
C5	0.410	-1.942	0.000
H6	0.143	-2.545	-0.871
H7	0.143	-2.545	0.871
C8	0.000	0.539	0.000
Cl9	-1.051	1.928	0.000
H10	1.044	0.808	0.000
C11	-0.458	-0.711	0.000
H12	-1.528	-0.880	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0882	1.0892	1.0892	1.5251	2.1533	2.1533	2.9290	4.6686	2.6354	2.5602	3.5318
H2	1.0882		1.7613	1.7613	2.1583	2.4745	2.4745	4.0036	5.7452	3.7097	3.4859	4.3498
H3	1.0892	1.7613		1.7641	2.1708	3.0660	2.5153	2.9010	4.5498	2.4187	2.8418	3.8509
H4	1.0892	1.7613	1.7641		2.1708	2.5153	3.0660	2.9010	4.5498	2.4187	2.8418	3.8509
C5	1.5251	2.1583	2.1708	2.1708		1.0928	1.0928	2.5144	4.1361	2.8223	1.5057	2.2095
H6	2.1533	2.4745	3.0660	2.5153	1.0928		1.7423	3.2084	4.7113	3.5802	2.1179	2.5152
H7	2.1533	2.4745	2.5153	3.0660	1.0928	1.7423		3.2084	4.7113	3.5802	2.1179	2.5152
C8	2.9290	4.0036	2.9010	2.9010	2.5144	3.2084	3.2084		1.7417	1.0777	1.3312	2.0852
Cl9	4.6686	5.7452	4.5498	4.5498	4.1361	4.7113	4.7113	1.7417		2.3751	2.7047	2.8478
H10	2.6354	3.7097	2.4187	2.4187	2.8223	3.5802	3.5802	1.0777	2.3751		2.1360	3.0761
C11	2.5602	3.4859	2.8418	2.8418	1.5057	2.1179	2.1179	1.3312	2.7047	2.1360		1.0834
H12	3.5318	4.3498	3.8509	3.8509	2.2095	2.5152	2.5152	2.0852	2.8478	3.0761	1.0834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.568	C1	C5	H7	109.568
C1	C5	C11	115.282	H2	C1	H3	107.985
H2	C1	H4	107.985	H2	C1	C5	110.237
H3	C1	H4	108.164	H3	C1	C5	111.174
H4	C1	C5	111.174	C5	C11	C8	124.714
C5	C11	H12	116.206	H6	C5	H7	105.719
H6	C5	C11	108.132	H7	C5	C11	108.132
C8	C11	H12	119.079	Cl9	C8	H10	112.655
Cl9	C8	C11	122.763	H10	C8	C11	124.582

All results from a given calculation for CHClCHCH₂CH₃ ((Z)-1-Chloro-1-butene)

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 CHClCHCH2CH3 ((Z)-1-Chloro-1-butene)

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

States and conformations

All results from a given calculation for CHClCHCH₂CH₃ ((Z)-1-Chloro-1-butene)