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	hartrees
Energy at 0K	-615.814409
Energy at 298.15K	-615.821239
HF Energy	-615.087458
Nuclear repulsion energy	214.102083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	3041	15.20
2	A'	3194	3027	5.64
3	A'	3186	3020	9.35
4	A'	3085	2924	25.99
5	A'	3084	2923	14.92
6	A'	1733	1643	13.36
7	A'	1519	1440	9.70
8	A'	1512	1433	0.77
9	A'	1440	1365	1.68
10	A'	1435	1361	4.06
11	A'	1335	1265	22.43
12	A'	1191	1129	28.76
13	A'	1125	1066	2.75
14	A'	1056	1001	9.66
15	A'	926	878	24.85
16	A'	631	598	19.38
17	A'	532	505	0.23
18	A'	346	328	0.36
19	A'	238	226	1.26
20	A"	3168	3003	8.73
21	A"	3152	2988	15.12
22	A"	1500	1422	6.38
23	A"	1481	1404	9.83
24	A"	1088	1031	0.39
25	A"	1054	999	1.11
26	A"	795	753	17.92
27	A"	437	414	1.50
28	A"	254	241	1.78
29	A"	184	175	1.78
30	A"	70	67	0.18

Atom	x (Å)	y (Å)	z (Å)
H1	0.576	2.521	0.000
Cl2	-1.343	-0.562	0.000
C3	1.777	-1.334	0.000
C4	-0.336	1.928	0.000
H5	-0.918	2.195	0.880
H6	-0.918	2.195	-0.880
C7	0.000	0.488	0.000
C8	1.281	0.068	0.000
H9	2.014	0.829	0.000
H10	0.967	-2.046	0.000
H11	2.395	-1.517	-0.878
H12	2.395	-1.517	0.878

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6322	4.0375	1.0883	1.7649	1.7649	2.1135	2.5527	2.2204	4.5843	4.5150	4.5150
Cl2	3.6322		3.2144	2.6863	2.9252	2.9252	1.7052	2.6990	3.6342	2.7459	3.9568	3.9568
C3	4.0375	3.2144		3.8865	4.5264	4.5264	2.5446	1.4865	2.1756	1.0791	1.0893	1.0893
C4	1.0883	2.6863	3.8865		1.0885	1.0885	1.4790	2.4650	2.5944	4.1826	4.4831	4.4831
H5	1.7649	2.9252	4.5264	1.0885		1.7608	2.1288	3.1836	3.3521	4.7239	5.2768	4.9751
H6	1.7649	2.9252	4.5264	1.0885	1.7608		2.1288	3.1836	3.3521	4.7239	4.9751	5.2768
C7	2.1135	1.7052	2.5446	1.4790	2.1288	2.1288		1.3480	2.0425	2.7123	3.2442	3.2442
C8	2.5527	2.6990	1.4865	2.4650	3.1836	3.1836	1.3480		1.0568	2.1373	2.1267	2.1267
H9	2.2204	3.6342	2.1756	2.5944	3.3521	3.3521	2.0425	1.0568		3.0602	2.5339	2.5339
H10	4.5843	2.7459	1.0791	4.1826	4.7239	4.7239	2.7123	2.1373	3.0602		1.7579	1.7579
H11	4.5150	3.9568	1.0893	4.4831	5.2768	4.9751	3.2442	2.1267	2.5339	1.7579		1.7566
H12	4.5150	3.9568	1.0893	4.4831	4.9751	5.2768	3.2442	2.1267	2.5339	1.7579	1.7566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.346	H1	C4	H6	108.346
H1	C4	C7	109.882	Cl2	C7	C4	114.866
Cl2	C7	C8	123.834	C3	C8	C7	127.650
C3	C8	H9	116.601	C4	C7	C8	121.299
H5	C4	H6	107.960	H5	C4	C7	111.106
H6	C4	C7	111.106	C7	C8	H9	115.749
C8	C3	H10	111.846	C8	C3	H11	110.363
C8	C3	H12	110.363	H10	C3	H11	108.328
H10	C3	H12	108.328	H11	C3	H12	107.478

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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