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	hartrees
Energy at 0K	-616.836332
Energy at 298.15K	-616.843231
Nuclear repulsion energy	212.956618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3035	19.52
2	A'	3144	3021	4.75
3	A'	3132	3009	12.32
4	A'	3045	2925	20.32
5	A'	3037	2918	26.97
6	A'	1753	1684	12.07
7	A'	1506	1447	6.98
8	A'	1497	1438	0.88
9	A'	1429	1373	1.47
10	A'	1425	1369	1.60
11	A'	1328	1276	25.81
12	A'	1168	1122	29.45
13	A'	1102	1059	5.09
14	A'	1046	1005	17.09
15	A'	911	875	29.87
16	A'	602	578	29.77
17	A'	526	505	0.10
18	A'	343	330	0.63
19	A'	236	227	1.57
20	A"	3106	2985	13.55
21	A"	3085	2964	21.02
22	A"	1500	1442	5.87
23	A"	1483	1425	8.21
24	A"	1078	1035	0.69
25	A"	1063	1021	0.80
26	A"	828	796	10.85
27	A"	474	455	1.04
28	A"	252	243	1.62
29	A"	194	186	1.55
30	A"	116	112	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	0.305	2.646	0.000
Cl2	-1.290	-0.693	0.000
C3	1.872	-1.206	0.000
C4	-0.525	1.934	0.000
H5	-1.147	2.121	0.882
H6	-1.147	2.121	-0.882
C7	0.000	0.530	0.000
C8	1.286	0.172	0.000
H9	1.995	1.000	0.000
H10	1.102	-1.978	0.000
H11	2.510	-1.354	-0.880
H12	2.510	-1.354	0.880

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6998	4.1578	1.0935	1.7780	1.7780	2.1377	2.6609	2.3588	4.6918	4.6509	4.6509
Cl2	3.6998		3.2032	2.7358	2.9523	2.9523	1.7771	2.7167	3.6951	2.7150	3.9557	3.9557
C3	4.1578	3.2032		3.9502	4.5780	4.5780	2.5528	1.4973	2.2088	1.0909	1.0969	1.0969
C4	1.0935	2.7358	3.9502		1.0953	1.0953	1.4991	2.5266	2.6875	4.2368	4.5602	4.5602
H5	1.7780	2.9523	4.5780	1.0953		1.7644	2.1506	3.2393	3.4503	4.7577	5.3432	5.0442
H6	1.7780	2.9523	4.5780	1.0953	1.7644		2.1506	3.2393	3.4503	4.7577	5.0442	5.3432
C7	2.1377	1.7771	2.5528	1.4991	2.1506	2.1506		1.3345	2.0495	2.7392	3.2591	3.2591
C8	2.6609	2.7167	1.4973	2.5266	3.2393	3.2393	1.3345		1.0901	2.1579	2.1451	2.1451
H9	2.3588	3.6951	2.2088	2.6875	3.4503	3.4503	2.0495	1.0901		3.1089	2.5651	2.5651
H10	4.6918	2.7150	1.0909	4.2368	4.7577	4.7577	2.7392	2.1579	3.1089		1.7739	1.7739
H11	4.6509	3.9557	1.0969	4.5602	5.3432	5.0442	3.2591	2.1451	2.5651	1.7739		1.7602
H12	4.6509	3.9557	1.0969	4.5602	5.0442	5.3432	3.2591	2.1451	2.5651	1.7739	1.7602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.652	H1	C4	H6	108.652
H1	C4	C7	110.098	Cl2	C7	C4	112.968
Cl2	C7	C8	120.975	C3	C8	C7	128.616
C3	C8	H9	116.350	C4	C7	C8	126.057
H5	C4	H6	107.310	H5	C4	C7	111.019
H6	C4	C7	111.019	C7	C8	H9	115.034
C8	C3	H10	112.014	C8	C3	H11	110.615
C8	C3	H12	110.615	H10	C3	H11	108.346
H10	C3	H12	108.346	H11	C3	H12	106.719

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	H	0.118
2	Cl	-0.055
3	C	-0.356
4	C	-0.339
5	H	0.134
6	H	0.134
7	C	-0.056
8	C	-0.054
9	H	0.096
10	H	0.136
11	H	0.121
12	H	0.121

	x	y	z	Total
	1.413	1.143	0.000	1.817
CHELPG
AIM
ESP

	x	y	z
x	10.371	-0.486	0.000
y	-0.486	8.424	0.000
z	0.000	0.000	5.011

<r²>	173.475
(<r²>)^1/2	13.171

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

using model chemistry: B3LYP/6-31G**

States and conformations

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