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	hartrees
Energy at 0K	-614.800659
Energy at 298.15K	-614.807486
Nuclear repulsion energy	212.191006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3107	3060	6.36
2	A'	3081	3035	8.97
3	A'	3071	3025	9.80
4	A'	2978	2933	12.08
5	A'	2969	2924	24.73
6	A'	1721	1695	15.08
7	A'	1427	1406	14.55
8	A'	1411	1389	8.48
9	A'	1358	1338	23.83
10	A'	1354	1333	6.67
11	A'	1285	1266	1.40
12	A'	1132	1115	17.38
13	A'	1062	1046	71.01
14	A'	995	980	10.42
15	A'	908	894	10.25
16	A'	681	670	20.45
17	A'	438	431	8.00
18	A'	344	339	0.43
19	A'	271	267	0.39
20	A"	3049	3004	3.13
21	A"	3031	2986	6.88
22	A"	1410	1389	15.44
23	A"	1399	1378	8.12
24	A"	1011	996	0.14
25	A"	1004	989	0.22
26	A"	809	797	22.60
27	A"	437	431	6.29
28	A"	231	227	0.88
29	A"	182	180	0.51
30	A"	144	142	1.42

Atom	x (Å)	y (Å)	z (Å)
C1	-2.116	-1.179	0.000
H2	-2.661	-0.221	0.000
H3	-2.447	-1.753	0.885
H4	-2.447	-1.753	-0.885
C5	0.000	0.170	0.000
H6	-0.033	-1.915	0.000
C7	-0.644	-1.003	0.000
H8	-0.239	2.098	0.888
H9	-0.239	2.098	-0.888
C10	-0.573	1.532	0.000
Cl11	1.749	0.166	0.000
H12	-1.674	1.501	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.1021	1.1056	1.1056	2.5090	2.2090	1.4817	3.8796	3.8796	3.1192	4.0923	2.7166
H2	1.1021		1.7818	1.7818	2.6897	3.1267	2.1629	3.4692	3.4692	2.7268	4.4274	1.9854
H3	1.1056	1.7818		1.7699	3.2354	2.5764	2.1436	4.4394	4.7801	3.8841	4.6984	3.4600
H4	1.1056	1.7818	1.7699		3.2354	2.5764	2.1436	4.7801	4.4394	3.8841	4.6984	3.4600
C5	2.5090	2.6897	3.2354	3.2354		2.0848	1.3381	2.1366	2.1366	1.4777	1.7492	2.1393
H6	2.2090	3.1267	2.5764	2.5764	2.0848		1.0980	4.1155	4.1155	3.4887	2.7398	3.7902
C7	1.4817	2.1629	2.1436	2.1436	1.3381	1.0980		3.2513	3.2513	2.5359	2.6640	2.7079
H8	3.8796	3.4692	4.4394	4.7801	2.1366	4.1155	3.2513		1.7751	1.1046	2.9112	1.7899
H9	3.8796	3.4692	4.7801	4.4394	2.1366	4.1155	3.2513	1.7751		1.1046	2.9112	1.7899
C10	3.1192	2.7268	3.8841	3.8841	1.4777	3.4887	2.5359	1.1046	1.1046		2.6937	1.1020
Cl11	4.0923	4.4274	4.6984	4.6984	1.7492	2.7398	2.6640	2.9112	2.9112	2.6937		3.6746
H12	2.7166	1.9854	3.4600	3.4600	2.1393	3.7902	2.7079	1.7899	1.7899	1.1020	3.6746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	125.612	C1	C7	H6	117.031
H2	C1	H3	107.622	H2	C1	H4	107.622
H2	C1	C7	112.842	H3	C1	H4	106.345
H3	C1	C7	111.054	H4	C1	C7	111.054
C5	C7	H6	117.357	C5	C10	H8	110.847
C5	C10	H9	110.847	C5	C10	H12	111.223
C7	C5	C10	128.407	C7	C5	Cl11	118.677
H8	C10	H9	106.937	H8	C10	H12	108.421
H9	C10	H12	108.421	C10	C5	Cl11	112.916

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

using model chemistry: LSDA/6-31+G**

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	C	-0.823
2	H	0.170
3	H	0.202
4	H	0.202
5	C	-0.037
6	H	0.171
7	C	0.198
8	H	0.213
9	H	0.213
10	C	-0.840
11	Cl	0.158
12	H	0.174

	x	y	z	Total
	-2.089	0.089	0.000	2.091
CHELPG
AIM
ESP

	x	y	z
x	11.361	1.640	0.000
y	1.640	10.241	0.000
z	0.000	0.000	6.577

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31+G**

States and conformations

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