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	hartrees
Energy at 0K	-615.705874
Energy at 298.15K	-615.712798
HF Energy	-615.012563
Nuclear repulsion energy	213.693599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3021	15.62
2	A'	3204	3007	6.78
3	A'	3195	2999	10.04
4	A'	3106	2915	16.30
5	A'	3102	2912	18.55
6	A'	1803	1693	9.98
7	A'	1555	1460	9.25
8	A'	1548	1453	0.99
9	A'	1479	1389	2.70
10	A'	1476	1385	4.20
11	A'	1374	1290	24.63
12	A'	1217	1142	25.16
13	A'	1143	1073	1.47
14	A'	1081	1014	13.83
15	A'	947	889	22.57
16	A'	641	602	20.11
17	A'	539	506	0.40
18	A'	351	329	0.40
19	A'	244	229	1.26
20	A"	3179	2984	11.06
21	A"	3162	2968	17.78
22	A"	1548	1453	6.87
23	A"	1530	1436	9.26
24	A"	1110	1042	0.13
25	A"	1094	1027	1.23
26	A"	839	788	14.01
27	A"	472	443	1.13
28	A"	253	237	1.87
29	A"	189	178	1.13
30	A"	88	83	0.03

Atom	x (Å)	y (Å)	z (Å)
H1	0.349	2.628	0.000
Cl2	-1.292	-0.670	0.000
C3	1.849	-1.232	0.000
C4	-0.497	1.936	0.000
H5	-1.113	2.130	0.884
H6	-1.113	2.130	-0.884
C7	0.000	0.521	0.000
C8	1.284	0.156	0.000
H9	2.006	0.972	0.000
H10	1.062	-1.987	0.000
H11	2.480	-1.389	-0.882
H12	2.480	-1.389	0.882

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6837	4.1417	1.0932	1.7792	1.7792	2.1362	2.6428	2.3430	4.6701	4.6318	4.6318
Cl2	3.6837		3.1917	2.7244	2.9417	2.9417	1.7570	2.7054	3.6845	2.6980	3.9401	3.9401
C3	4.1417	3.1917		3.9427	4.5676	4.5676	2.5482	1.4992	2.2097	1.0907	1.0956	1.0956
C4	1.0932	2.7244	3.9427		1.0944	1.0944	1.5002	2.5180	2.6827	4.2217	4.5492	4.5492
H5	1.7792	2.9417	4.5676	1.0944		1.7674	2.1472	3.2284	3.4426	4.7398	5.3301	5.0290
H6	1.7792	2.9417	4.5676	1.0944	1.7674		2.1472	3.2284	3.4426	4.7398	5.0290	5.3301
C7	2.1362	1.7570	2.5482	1.5002	2.1472	2.1472		1.3347	2.0564	2.7235	3.2517	3.2517
C8	2.6428	2.7054	1.4992	2.5180	3.2284	3.2284	1.3347		1.0895	2.1548	2.1437	2.1437
H9	2.3430	3.6845	2.2097	2.6827	3.4426	3.4426	2.0564	1.0895		3.1060	2.5642	2.5642
H10	4.6701	2.6980	1.0907	4.2217	4.7398	4.7398	2.7235	2.1548	3.1060		1.7738	1.7738
H11	4.6318	3.9401	1.0956	4.5492	5.3301	5.0290	3.2517	2.1437	2.5642	1.7738		1.7645
H12	4.6318	3.9401	1.0956	4.5492	5.0290	5.3301	3.2517	2.1437	2.5642	1.7738	1.7645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.845	H1	C4	H6	108.845
H1	C4	C7	109.922	Cl2	C7	C4	113.293
Cl2	C7	C8	121.507	C3	C8	C7	128.003
C3	C8	H9	116.316	C4	C7	C8	125.200
H5	C4	H6	107.705	H5	C4	C7	110.730
H6	C4	C7	110.730	C7	C8	H9	115.682
C8	C3	H10	111.638	C8	C3	H11	110.443
C8	C3	H12	110.443	H10	C3	H11	108.454
H10	C3	H12	108.454	H11	C3	H12	107.274

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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