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	hartrees
Energy at 0K	-40.960519
Energy at 298.15K	-40.967272
HF Energy	-40.600491
Nuclear repulsion energy	88.618915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	3059	35.03
2	A'	3146	3040	33.27
3	A'	3137	3031	9.20
4	A'	3036	2933	38.22
5	A'	3035	2932	39.98
6	A'	1694	1637	12.92
7	A'	1529	1478	11.68
8	A'	1522	1471	1.36
9	A'	1463	1413	2.26
10	A'	1460	1411	4.75
11	A'	1344	1299	28.23
12	A'	1189	1149	24.27
13	A'	1108	1071	2.49
14	A'	1069	1033	14.91
15	A'	914	883	25.29
16	A'	567	548	21.65
17	A'	511	494	0.01
18	A'	328	317	0.36
19	A'	225	218	1.24
20	A"	3139	3033	33.60
21	A"	3118	3013	47.81
22	A"	1513	1462	12.03
23	A"	1491	1441	11.83
24	A"	1105	1068	0.27
25	A"	1078	1042	1.87
26	A"	816	789	28.19
27	A"	455	439	3.99
28	A"	244	236	4.08
29	A"	188	181	1.88
30	A"	84	81	0.05

Atom	x (Å)	y (Å)	z (Å)
H1	0.278	2.713	0.000
Cl2	-1.329	-0.744	0.000
C3	1.943	-1.210	0.000
C4	-0.563	1.989	0.000
H5	-1.191	2.166	0.898
H6	-1.191	2.166	-0.898
C7	0.000	0.558	0.000
C8	1.340	0.206	0.000
H9	2.050	1.053	0.000
H10	1.154	-1.985	0.000
H11	2.583	-1.358	-0.897
H12	2.583	-1.358	0.897

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.8127	4.2623	1.1095	1.8062	1.8062	2.1737	2.7232	2.4286	4.7798	4.7641	4.7641
Cl2	3.8127		3.3047	2.8388	3.0493	3.0493	1.8602	2.8333	3.8270	2.7753	4.0601	4.0601
C3	4.2623	3.3047		4.0638	4.6934	4.6934	2.6267	1.5391	2.2655	1.1065	1.1121	1.1121
C4	1.1095	2.8388	4.0638		1.1102	1.1102	1.5383	2.6080	2.7755	4.3294	4.6803	4.6803
H5	1.8062	3.0493	4.6934	1.1102		1.7965	2.1939	3.3251	3.5425	4.8519	5.4669	5.1637
H6	1.8062	3.0493	4.6934	1.1102	1.7965		2.1939	3.3251	3.5425	4.8519	5.1637	5.4669
C7	2.1737	1.8602	2.6267	1.5383	2.1939	2.1939		1.3857	2.1090	2.7924	3.3387	3.3387
C8	2.7232	2.8333	1.5391	2.6080	3.3251	3.3251	1.3857		1.1047	2.1995	2.1900	2.1900
H9	2.4286	3.8270	2.2655	2.7755	3.5425	3.5425	2.1090	1.1047		3.1678	2.6271	2.6271
H10	4.7798	2.7753	1.1065	4.3294	4.8519	4.8519	2.7924	2.1995	3.1678		1.8007	1.8007
H11	4.7641	4.0601	1.1121	4.6803	5.4669	5.1637	3.3387	2.1900	2.6271	1.8007		1.7945
H12	4.7641	4.0601	1.1121	4.6803	5.1637	5.4669	3.3387	2.1900	2.6271	1.8007	1.7945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.922	H1	C4	H6	108.922
H1	C4	C7	109.288	Cl2	C7	C4	112.953
Cl2	C7	C8	120.896	C3	C8	C7	127.739
C3	C8	H9	116.986	C4	C7	C8	126.151
H5	C4	H6	108.015	H5	C4	C7	110.824
H6	C4	C7	110.824	C7	C8	H9	115.275
C8	C3	H10	111.437	C8	C3	H11	110.351
C8	C3	H12	110.351	H10	C3	H11	108.509
H10	C3	H12	108.509	H11	C3	H12	107.574

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

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

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