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	hartrees
Energy at 0K	-615.593788
Energy at 298.15K	-615.600793
HF Energy	-615.011159
Nuclear repulsion energy	211.900536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3299	3047	11.14
2	A'	3281	3031	15.60
3	A'	3263	3014	13.75
4	A'	3172	2930	11.01
5	A'	3160	2919	26.75
6	A'	1856	1715	11.66
7	A'	1593	1471	9.30
8	A'	1581	1460	4.82
9	A'	1524	1408	6.41
10	A'	1514	1398	1.06
11	A'	1439	1329	1.32
12	A'	1227	1133	39.72
13	A'	1155	1067	25.36
14	A'	1073	991	6.61
15	A'	977	903	14.19
16	A'	718	663	20.01
17	A'	462	427	6.87
18	A'	368	339	0.32
19	A'	287	265	0.48
20	A"	3238	2991	11.64
21	A"	3218	2973	18.70
22	A"	1578	1458	10.48
23	A"	1569	1449	3.44
24	A"	1134	1048	1.25
25	A"	1131	1044	0.07
26	A"	906	837	19.21
27	A"	467	432	3.50
28	A"	243	225	0.24
29	A"	163	150	0.24
30	A"	113	105	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	-2.156	-1.146	0.000
H2	-2.694	-0.203	0.000
H3	-2.470	-1.712	0.877
H4	-2.470	-1.712	-0.877
C5	0.000	0.171	0.000
H6	-0.092	-1.890	0.000
C7	-0.667	-0.974	0.000
H8	-0.178	2.108	0.879
H9	-0.178	2.108	-0.879
C10	-0.531	1.570	0.000
Cl11	1.754	0.117	0.000
H12	-1.616	1.583	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.0857	1.0904	1.0904	2.5264	2.1945	1.4989	3.9079	3.9079	3.1648	4.1089	2.7817
H2	1.0857		1.7600	1.7600	2.7204	3.1019	2.1692	3.5280	3.5280	2.7973	4.4601	2.0863
H3	1.0904	1.7600		1.7541	3.2279	2.5413	2.1368	4.4553	4.7888	3.9120	4.6862	3.5155
H4	1.0904	1.7600	1.7541		3.2279	2.5413	2.1368	4.7888	4.4553	3.9120	4.6862	3.5155
C5	2.5264	2.7204	3.2279	3.2279		2.0636	1.3255	2.1340	2.1340	1.4959	1.7550	2.1460
H6	2.1945	3.1019	2.5413	2.5413	2.0636		1.0818	4.0945	4.0945	3.4879	2.7268	3.7932
C7	1.4989	2.1692	2.1368	2.1368	1.3255	1.0818		3.2420	3.2420	2.5477	2.6556	2.7277
H8	3.9079	3.5280	4.4553	4.7888	2.1340	4.0945	3.2420		1.7573	1.0891	2.9101	1.7654
H9	3.9079	3.5280	4.7888	4.4553	2.1340	4.0945	3.2420	1.7573		1.0891	2.9101	1.7654
C10	3.1648	2.7973	3.9120	3.9120	1.4959	3.4879	2.5477	1.0891	1.0891		2.7078	1.0855
Cl11	4.1089	4.4601	4.6862	4.6862	1.7550	2.7268	2.6556	2.9101	2.9101	2.7078		3.6755
H12	2.7817	2.0863	3.5155	3.5155	2.1460	3.7932	2.7277	1.7654	1.7654	1.0855	3.6755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	126.785	C1	C7	H6	115.553
H2	C1	H3	107.955	H2	C1	H4	107.955
H2	C1	C7	113.164	H3	C1	H4	107.090
H3	C1	C7	110.228	H4	C1	C7	110.228
C5	C7	H6	117.661	C5	C10	H8	110.293
C5	C10	H9	110.293	C5	C10	H12	111.480
C7	C5	C10	129.005	C7	C5	Cl11	118.433
H8	C10	H9	107.562	H8	C10	H12	108.552
H9	C10	H12	108.552	C10	C5	Cl11	112.562

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

using model chemistry: CID/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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All results from a given calculation for CH3CClCHCH3 (2-Butene, 2-chloro-, (E)-)

using model chemistry: CID/6-31G*

States and conformations

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