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	hartrees
Energy at 0K	-615.338403
Energy at 298.15K	-615.345229
HF Energy	-614.929566
Nuclear repulsion energy	209.134260

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3038	18.91
2	A'	3157	3021	11.08
3	A'	3149	3013	10.42
4	A'	3061	2929	24.42
5	A'	3060	2927	17.22
6	A'	1740	1665	11.48
7	A'	1571	1503	10.66
8	A'	1565	1497	0.35
9	A'	1493	1428	2.68
10	A'	1491	1427	5.34
11	A'	1380	1320	26.79
12	A'	1207	1155	26.87
13	A'	1125	1076	2.31
14	A'	1092	1045	15.90
15	A'	931	891	25.18
16	A'	571	546	24.81
17	A'	525	502	1.83
18	A'	340	325	0.50
19	A'	236	226	1.58
20	A"	3145	3009	13.96
21	A"	3125	2990	22.80
22	A"	1561	1493	8.21
23	A"	1540	1474	9.76
24	A"	1134	1085	0.31
25	A"	1114	1066	1.23
26	A"	846	810	15.65
27	A"	464	444	1.64
28	A"	248	237	2.59
29	A"	185	177	1.03
30	A"	73	70	0.02

Atom	x (Å)	y (Å)	z (Å)
H1	0.226	2.683	0.000
Cl2	-1.301	-0.771	0.000
C3	1.942	-1.138	0.000
C4	-0.588	1.944	0.000
H5	-1.213	2.110	0.888
H6	-1.213	2.110	-0.888
C7	0.000	0.556	0.000
C8	1.309	0.234	0.000
H9	1.999	1.084	0.000
H10	1.181	-1.926	0.000
H11	2.579	-1.271	-0.887
H12	2.579	-1.271	0.887

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.7764	4.1887	1.0991	1.7851	1.7851	2.1392	2.6777	2.3883	4.7075	4.6862	4.6862
Cl2	3.7764		3.2643	2.8072	3.0161	3.0161	1.8583	2.7971	3.7858	2.7385	4.0115	4.0115
C3	4.1887	3.2643		3.9876	4.6145	4.6145	2.5771	1.5111	2.2220	1.0958	1.1001	1.1001
C4	1.0991	2.8072	3.9876		1.0985	1.0985	1.5077	2.5539	2.7266	4.2559	4.5994	4.5994
H5	1.7851	3.0161	4.6145	1.0985		1.7760	2.1623	3.2662	3.4872	4.7766	5.3817	5.0805
H6	1.7851	3.0161	4.6145	1.0985	1.7760		2.1623	3.2662	3.4872	4.7766	5.0805	5.3817
C7	2.1392	1.8583	2.5771	1.5077	2.1623	2.1623		1.3480	2.0678	2.7491	3.2827	3.2827
C8	2.6777	2.7971	1.5111	2.5539	3.2662	3.2662	1.3480		1.0945	2.1644	2.1601	2.1601
H9	2.3883	3.7858	2.2220	2.7266	3.4872	3.4872	2.0678	1.0945		3.1191	2.5823	2.5823
H10	4.7075	2.7385	1.0958	4.2559	4.7766	4.7766	2.7491	2.1644	3.1191		1.7801	1.7801
H11	4.6862	4.0115	1.1001	4.5994	5.3817	5.0805	3.2827	2.1601	2.5823	1.7801		1.7745
H12	4.6862	4.0115	1.1001	4.5994	5.0805	5.3817	3.2827	2.1601	2.5823	1.7801	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.643	H1	C4	H6	108.643
H1	C4	C7	109.292	Cl2	C7	C4	112.608
Cl2	C7	C8	120.640	C3	C8	C7	128.582
C3	C8	H9	116.120	C4	C7	C8	126.752
H5	C4	H6	107.876	H5	C4	C7	111.157
H6	C4	C7	111.157	C7	C8	H9	115.298
C8	C3	H10	111.248	C8	C3	H11	110.651
C8	C3	H12	110.651	H10	C3	H11	108.322
H10	C3	H12	108.322	H11	C3	H12	107.523

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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