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	hartrees
Energy at 0K	-615.332637
Energy at 298.15K	-615.339377
HF Energy	-614.931237
Nuclear repulsion energy	207.693800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3048	32.81
2	A'	3142	3033	7.89
3	A'	3133	3024	16.40
4	A'	3025	2920	29.27
5	A'	3023	2918	28.58
6	A'	1696	1637	14.26
7	A'	1541	1487	15.41
8	A'	1534	1481	1.52
9	A'	1465	1414	4.24
10	A'	1465	1414	8.70
11	A'	1346	1299	22.93
12	A'	1183	1142	23.82
13	A'	1101	1063	3.36
14	A'	1073	1036	13.65
15	A'	907	875	25.74
16	A'	558	539	19.31
17	A'	511	493	0.84
18	A'	330	318	0.54
19	A'	227	219	1.60
20	A"	3126	3017	19.72
21	A"	3106	2998	29.91
22	A"	1531	1478	10.22
23	A"	1510	1458	11.73
24	A"	1110	1071	0.82
25	A"	1087	1049	1.59
26	A"	810	781	23.07
27	A"	441	426	1.82
28	A"	243	235	3.14
29	A"	190	184	2.39
30	A"	86	83	0.09

Atom	x (Å)	y (Å)	z (Å)
H1	0.210	2.714	0.000
Cl2	-1.303	-0.771	0.000
C3	1.949	-1.161	0.000
C4	-0.600	1.965	0.000
H5	-1.230	2.119	0.893
H6	-1.230	2.119	-0.893
C7	0.000	0.564	0.000
C8	1.323	0.232	0.000
H9	2.018	1.084	0.000
H10	1.177	-1.946	0.000
H11	2.587	-1.295	-0.892
H12	2.587	-1.295	0.892

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.7995	4.2474	1.1039	1.7964	1.7964	2.1606	2.7201	2.4346	4.7598	4.7458	4.7458
Cl2	3.7995		3.2751	2.8247	3.0258	3.0258	1.8653	2.8106	3.8034	2.7446	4.0254	4.0254
C3	4.2474	3.2751		4.0337	4.6544	4.6544	2.6026	1.5273	2.2453	1.1010	1.1053	1.1053
C4	1.1039	2.8247	4.0337		1.1038	1.1038	1.5244	2.5887	2.7628	4.2964	4.6462	4.6462
H5	1.7964	3.0258	4.6544	1.1038		1.7867	2.1748	3.2979	3.5243	4.8084	5.4239	5.1215
H6	1.7964	3.0258	4.6544	1.1038	1.7867		2.1748	3.2979	3.5243	4.8084	5.1215	5.4239
C7	2.1606	1.8653	2.6026	1.5244	2.1748	2.1748		1.3637	2.0837	2.7725	3.3085	3.3085
C8	2.7201	2.8106	1.5273	2.5887	3.2979	3.2979	1.3637		1.0991	2.1831	2.1744	2.1744
H9	2.4346	3.8034	2.2453	2.7628	3.5243	3.5243	2.0837	1.0991		3.1440	2.6035	2.6035
H10	4.7598	2.7446	1.1010	4.2964	4.8084	4.8084	2.7725	2.1831	3.1440		1.7910	1.7910
H11	4.7458	4.0254	1.1053	4.6462	5.4239	5.1215	3.3085	2.1744	2.6035	1.7910		1.7847
H12	4.7458	4.0254	1.1053	4.6462	5.1215	5.4239	3.3085	2.1744	2.6035	1.7910	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.920	H1	C4	H6	108.920
H1	C4	C7	109.548	Cl2	C7	C4	112.499
Cl2	C7	C8	120.221	C3	C8	C7	128.294
C3	C8	H9	116.553	C4	C7	C8	127.280
H5	C4	H6	108.066	H5	C4	C7	110.670
H6	C4	C7	110.670	C7	C8	H9	115.153
C8	C3	H10	111.296	C8	C3	H11	110.344
C8	C3	H12	110.344	H10	C3	H11	108.540
H10	C3	H12	108.540	H11	C3	H12	107.677

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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