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	hartrees
Energy at 0K	-616.469928
Energy at 298.15K	-616.476713
Nuclear repulsion energy	212.832279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3075	3047	19.42
2	A'	3060	3032	6.80
3	A'	3056	3028	8.34
4	A'	2968	2941	20.65
5	A'	2961	2934	25.17
6	A'	1690	1674	14.24
7	A'	1442	1429	10.45
8	A'	1432	1419	1.74
9	A'	1362	1350	3.36
10	A'	1359	1346	5.23
11	A'	1272	1261	25.04
12	A'	1126	1116	33.74
13	A'	1085	1076	7.08
14	A'	1002	993	17.26
15	A'	882	874	30.94
16	A'	590	585	29.99
17	A'	513	508	0.21
18	A'	335	332	0.64
19	A'	228	226	1.31
20	A"	3028	3000	11.46
21	A"	3008	2981	17.75
22	A"	1435	1422	8.18
23	A"	1418	1405	11.30
24	A"	1032	1022	0.84
25	A"	1014	1005	0.71
26	A"	788	781	15.34
27	A"	462	458	3.31
28	A"	246	244	2.52
29	A"	188	186	2.20
30	A"	111	110	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	0.314	2.649	0.000
Cl2	-1.289	-0.689	0.000
C3	1.865	-1.212	0.000
C4	-0.523	1.935	0.000
H5	-1.148	2.124	0.887
H6	-1.148	2.124	-0.887
C7	0.000	0.532	0.000
C8	1.290	0.167	0.000
H9	2.004	1.000	0.000
H10	1.083	-1.983	0.000
H11	2.505	-1.369	-0.884
H12	2.505	-1.369	0.884

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.7024	4.1611	1.0996	1.7887	1.7887	2.1395	2.6664	2.3616	4.6950	4.6615	4.6615
Cl2	3.7024		3.1966	2.7333	2.9525	2.9525	1.7754	2.7168	3.7006	2.7015	3.9547	3.9547
C3	4.1611	3.1966		3.9504	4.5818	4.5818	2.5538	1.4949	2.2165	1.0977	1.1032	1.1032
C4	1.0996	2.7333	3.9504		1.1017	1.1017	1.4967	2.5315	2.6943	4.2339	4.5681	4.5681
H5	1.7887	2.9525	4.5818	1.1017		1.7746	2.1533	3.2490	3.4621	4.7567	5.3558	5.0543
H6	1.7887	2.9525	4.5818	1.1017	1.7746		2.1533	3.2490	3.4621	4.7567	5.0543	5.3558
C7	2.1395	1.7754	2.5538	1.4967	2.1533	2.1533		1.3403	2.0580	2.7384	3.2673	3.2673
C8	2.6664	2.7168	1.4949	2.5315	3.2490	3.2490	1.3403		1.0970	2.1601	2.1497	2.1497
H9	2.3616	3.7006	2.2165	2.6943	3.4621	3.4621	2.0580	1.0970		3.1216	2.5778	2.5778
H10	4.6950	2.7015	1.0977	4.2339	4.7567	4.7567	2.7384	2.1601	3.1216		1.7839	1.7839
H11	4.6615	3.9547	1.1032	4.5681	5.3558	5.0543	3.2673	2.1497	2.5778	1.7839		1.7688
H12	4.6615	3.9547	1.1032	4.5681	5.0543	5.3558	3.2673	2.1497	2.5778	1.7839	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.691	H1	C4	H6	108.691
H1	C4	C7	110.045	Cl2	C7	C4	113.026
Cl2	C7	C8	120.733	C3	C8	C7	128.433
C3	C8	H9	116.725	C4	C7	C8	126.241
H5	C4	H6	107.286	H5	C4	C7	111.019
H6	C4	C7	111.019	C7	C8	H9	114.842
C8	C3	H10	111.943	C8	C3	H11	110.767
C8	C3	H12	110.767	H10	C3	H11	108.296
H10	C3	H12	108.296	H11	C3	H12	106.578

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

using model chemistry: PBEPBE/6-311G**

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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Number	Element	Mulliken
1	H	0.127
2	Cl	-0.083
3	C	-0.322
4	C	-0.254
5	H	0.150
6	H	0.150
7	C	-0.233
8	C	-0.065
9	H	0.115
10	H	0.147
11	H	0.134
12	H	0.134

	x	y	z	Total
	1.410	1.127	0.000	1.805
CHELPG
AIM
ESP

	x	y	z
x	11.343	-0.576	0.000
y	-0.576	9.475	0.000
z	0.000	0.000	5.507

<r²>	173.903
(<r²>)^1/2	13.187

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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