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	hartrees
Energy at 0K	-615.758092
Energy at 298.15K	-615.764925
HF Energy	-615.027078
Nuclear repulsion energy	214.316990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3051	14.91
2	A'	3233	3037	9.54
3	A'	3227	3031	7.06
4	A'	3119	2930	31.15
5	A'	3118	2929	13.12
6	A'	1747	1641	12.78
7	A'	1542	1448	10.49
8	A'	1534	1441	1.35
9	A'	1460	1371	2.54
10	A'	1456	1368	3.87
11	A'	1353	1270	25.07
12	A'	1206	1133	28.87
13	A'	1139	1070	2.22
14	A'	1068	1003	10.53
15	A'	939	882	25.52
16	A'	641	602	18.53
17	A'	534	502	0.49
18	A'	350	329	0.36
19	A'	239	225	1.11
20	A"	3209	3014	8.53
21	A"	3194	3000	14.63
22	A"	1529	1436	6.37
23	A"	1510	1419	9.75
24	A"	1096	1029	0.31
25	A"	1067	1002	1.44
26	A"	819	770	19.58
27	A"	441	415	1.98
28	A"	249	234	2.30
29	A"	185	173	1.80
30	A"	63	59	0.12

Atom	x (Å)	y (Å)	z (Å)
H1	0.368	2.616	0.000
Cl2	-1.292	-0.656	0.000
C3	1.832	-1.246	0.000
C4	-0.481	1.936	0.000
H5	-1.092	2.134	0.880
H6	-1.092	2.134	-0.880
C7	0.000	0.520	0.000
C8	1.287	0.144	0.000
H9	2.008	0.955	0.000
H10	1.036	-1.985	0.000
H11	2.456	-1.412	-0.878
H12	2.456	-1.412	0.878

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6691	4.1299	1.0881	1.7716	1.7716	2.1272	2.6366	2.3333	4.6486	4.6210	4.6210
Cl2	3.6691		3.1795	2.7160	2.9327	2.9327	1.7478	2.7010	3.6725	2.6808	3.9237	3.9237
C3	4.1299	3.1795		3.9340	4.5555	4.5555	2.5451	1.4934	2.2085	1.0857	1.0902	1.0902
C4	1.0881	2.7160	3.9340		1.0892	1.0892	1.4949	2.5174	2.6752	4.2041	4.5398	4.5398
H5	1.7716	2.9327	4.5555	1.0892		1.7592	2.1380	3.2243	3.4313	4.7192	5.3160	5.0170
H6	1.7716	2.9327	4.5555	1.0892	1.7592		2.1380	3.2243	3.4313	4.7192	5.0170	5.3160
C7	2.1272	1.7478	2.5451	1.4949	2.1380	2.1380		1.3412	2.0543	2.7112	3.2466	3.2466
C8	2.6366	2.7010	1.4934	2.5174	3.2243	3.2243	1.3412		1.0847	2.1439	2.1355	2.1355
H9	2.3333	3.6725	2.2085	2.6752	3.4313	3.4313	2.0543	1.0847		3.0965	2.5645	2.5645
H10	4.6486	2.6808	1.0857	4.2041	4.7192	4.7192	2.7112	2.1439	3.0965		1.7653	1.7653
H11	4.6210	3.9237	1.0902	4.5398	5.3160	5.0170	3.2466	2.1355	2.5645	1.7653		1.7561
H12	4.6210	3.9237	1.0902	4.5398	5.0170	5.3160	3.2466	2.1355	2.5645	1.7653	1.7561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.913	H1	C4	H6	108.913
H1	C4	C7	109.885	Cl2	C7	C4	113.543
Cl2	C7	C8	121.389	C3	C8	C7	127.676
C3	C8	H9	116.999	C4	C7	C8	125.068
H5	C4	H6	107.717	H5	C4	C7	110.677
H6	C4	C7	110.677	C7	C8	H9	115.325
C8	C3	H10	111.477	C8	C3	H11	110.521
C8	C3	H12	110.521	H10	C3	H11	108.446
H10	C3	H12	108.446	H11	C3	H12	107.299

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

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

States and conformations

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