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	hartrees
Energy at 0K	-615.596021
Energy at 298.15K	-615.603080
HF Energy	-615.013215
Nuclear repulsion energy	214.497204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3033	19.99
2	A'	3271	3021	2.26
3	A'	3255	3006	12.35
4	A'	3164	2923	15.78
5	A'	3160	2919	26.11
6	A'	1862	1720	10.54
7	A'	1589	1468	8.84
8	A'	1582	1461	0.98
9	A'	1518	1402	2.12
10	A'	1514	1399	2.94
11	A'	1408	1301	26.78
12	A'	1246	1151	27.03
13	A'	1164	1075	1.52
14	A'	1108	1024	14.24
15	A'	968	894	24.57
16	A'	655	605	22.78
17	A'	552	510	0.41
18	A'	359	332	0.42
19	A'	249	230	1.25
20	A"	3236	2989	12.98
21	A"	3218	2972	20.36
22	A"	1582	1461	6.98
23	A"	1566	1446	8.94
24	A"	1138	1052	0.10
25	A"	1132	1046	1.65
26	A"	880	813	13.60
27	A"	498	460	1.39
28	A"	262	242	1.84
29	A"	198	183	1.11
30	A"	96	89	0.02

Atom	x (Å)	y (Å)	z (Å)
H1	0.338	2.622	0.000
Cl2	-1.287	-0.669	0.000
C3	1.850	-1.223	0.000
C4	-0.500	1.928	0.000
H5	-1.114	2.120	0.879
H6	-1.114	2.120	-0.879
C7	0.000	0.517	0.000
C8	1.275	0.157	0.000
H9	1.991	0.971	0.000
H10	1.077	-1.985	0.000
H11	2.480	-1.372	-0.878
H12	2.480	-1.372	0.878

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6707	4.1314	1.0878	1.7695	1.7695	2.1314	2.6369	2.3361	4.6654	4.6161	4.6161
Cl2	3.6707		3.1855	2.7139	2.9296	2.9296	1.7511	2.6928	3.6657	2.7053	3.9312	3.9312
C3	4.1314	3.1855		3.9302	4.5527	4.5527	2.5396	1.4950	2.1985	1.0852	1.0905	1.0905
C4	1.0878	2.7139	3.9302		1.0892	1.0892	1.4962	2.5070	2.6679	4.2180	4.5315	4.5315
H5	1.7695	2.9296	4.5527	1.0892		1.7582	2.1402	3.2141	3.4247	4.7346	5.3093	5.0103
H6	1.7695	2.9296	4.5527	1.0892	1.7582		2.1402	3.2141	3.4247	4.7346	5.0103	5.3093
C7	2.1314	1.7511	2.5396	1.4962	2.1402	2.1402		1.3251	2.0417	2.7239	3.2385	3.2385
C8	2.6369	2.6928	1.4950	2.5070	3.2141	3.2141	1.3251		1.0835	2.1511	2.1352	2.1352
H9	2.3361	3.6657	2.1985	2.6679	3.4247	3.4247	2.0417	1.0835		3.0938	2.5493	2.5493
H10	4.6654	2.7053	1.0852	4.2180	4.7346	4.7346	2.7239	2.1511	3.0938		1.7646	1.7646
H11	4.6161	3.9312	1.0905	4.5315	5.3093	5.0103	3.2385	2.1352	2.5493	1.7646		1.7552
H12	4.6161	3.9312	1.0905	4.5315	5.0103	5.3093	3.2385	2.1352	2.5493	1.7646	1.7552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.738	H1	C4	H6	108.738
H1	C4	C7	110.138	Cl2	C7	C4	113.153
Cl2	C7	C8	121.561	C3	C8	C7	128.362
C3	C8	H9	116.086	C4	C7	C8	125.286
H5	C4	H6	107.625	H5	C4	C7	110.763
H6	C4	C7	110.763	C7	C8	H9	115.552
C8	C3	H10	111.987	C8	C3	H11	110.369
C8	C3	H12	110.369	H10	C3	H11	108.396
H10	C3	H12	108.396	H11	C3	H12	107.173

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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