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	hartrees
Energy at 0K	-615.703564
Energy at 298.15K	-615.710400
HF Energy	-615.010549
Nuclear repulsion energy	211.095880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3036	12.32
2	A'	3220	3022	12.40
3	A'	3204	3007	13.23
4	A'	3114	2923	9.50
5	A'	3104	2914	22.14
6	A'	1799	1688	11.49
7	A'	1558	1463	9.25
8	A'	1547	1452	5.00
9	A'	1486	1394	7.70
10	A'	1474	1383	1.31
11	A'	1404	1317	1.22
12	A'	1197	1123	35.65
13	A'	1130	1060	25.78
14	A'	1050	986	6.64
15	A'	956	897	12.16
16	A'	702	659	17.59
17	A'	450	423	6.17
18	A'	359	337	0.32
19	A'	280	263	0.50
20	A"	3181	2986	9.84
21	A"	3164	2970	16.28
22	A"	1543	1448	10.35
23	A"	1533	1439	3.75
24	A"	1103	1036	0.43
25	A"	1095	1028	0.19
26	A"	859	806	19.97
27	A"	440	413	3.04
28	A"	232	218	0.26
29	A"	151	142	0.26
30	A"	93	87	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	-2.156	-1.163	0.000
H2	-2.697	-0.216	0.000
H3	-2.469	-1.733	0.882
H4	-2.469	-1.733	-0.882
C5	0.000	0.173	0.000
H6	-0.079	-1.902	0.000
C7	-0.663	-0.985	0.000
H8	-0.195	2.113	0.883
H9	-0.195	2.113	-0.883
C10	-0.544	1.571	0.000
Cl11	1.760	0.130	0.000
H12	-1.635	1.570	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.0909	1.0953	1.0953	2.5363	2.2038	1.5030	3.9195	3.9195	3.1735	4.1235	2.7822
H2	1.0909		1.7689	1.7689	2.7250	3.1136	2.1743	3.5312	3.5312	2.7976	4.4703	2.0778
H3	1.0953	1.7689		1.7631	3.2413	2.5527	2.1440	4.4683	4.8042	3.9236	4.7043	3.5184
H4	1.0953	1.7689	1.7631		3.2413	2.5527	2.1440	4.8042	4.4683	3.9236	4.7043	3.5184
C5	2.5363	2.7250	3.2413	3.2413		2.0770	1.3349	2.1405	2.1405	1.4998	1.7604	2.1504
H6	2.2038	3.1136	2.5527	2.5527	2.0770		1.0871	4.1131	4.1131	3.5040	2.7411	3.8047
C7	1.5030	2.1743	2.1440	2.1440	1.3349	1.0871		3.2559	3.2559	2.5588	2.6674	2.7337
H8	3.9195	3.5312	4.4683	4.8042	2.1405	4.1131	3.2559		1.7669	1.0942	2.9211	1.7752
H9	3.9195	3.5312	4.8042	4.4683	2.1405	4.1131	3.2559	1.7669		1.0942	2.9211	1.7752
C10	3.1735	2.7976	3.9236	3.9236	1.4998	3.5040	2.5588	1.0942	1.0942		2.7175	1.0908
Cl11	4.1235	4.4703	4.7043	4.7043	1.7604	2.7411	2.6674	2.9211	2.9211	2.7175		3.6877
H12	2.7822	2.0778	3.5184	3.5184	2.1504	3.8047	2.7337	1.7752	1.7752	1.0908	3.6877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	126.592	C1	C7	H6	115.679
H2	C1	H3	108.022	H2	C1	H4	108.022
H2	C1	C7	112.950	H3	C1	H4	107.191
H3	C1	C7	110.226	H4	C1	C7	110.226
C5	C7	H6	117.729	C5	C10	H8	110.236
C5	C10	H9	110.236	C5	C10	H12	111.235
C7	C5	C10	128.927	C7	C5	Cl11	118.386
H8	C10	H9	107.686	H8	C10	H12	108.678
H9	C10	H12	108.678	C10	C5	Cl11	112.688

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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