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	hartrees
Energy at 0K	-615.800522
Energy at 298.15K	-615.807330
HF Energy	-615.073417
Nuclear repulsion energy	211.377377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3047	15.86
2	A'	3198	3038	7.69
3	A'	3183	3025	11.17
4	A'	3083	2929	11.34
5	A'	3074	2921	25.33
6	A'	1725	1639	12.85
7	A'	1516	1441	8.40
8	A'	1504	1429	4.92
9	A'	1436	1365	7.09
10	A'	1426	1355	1.22
11	A'	1359	1291	1.19
12	A'	1171	1112	34.77
13	A'	1103	1049	31.09
14	A'	1029	977	6.44
15	A'	940	893	13.33
16	A'	694	659	16.48
17	A'	445	423	4.94
18	A'	351	334	0.16
19	A'	273	259	0.34
20	A"	3159	3001	9.21
21	A"	3142	2985	14.97
22	A"	1500	1425	11.72
23	A"	1489	1415	2.77
24	A"	1072	1018	1.26
25	A"	1059	1006	0.10
26	A"	826	785	19.66
27	A"	421	400	4.73
28	A"	228	217	0.46
29	A"	155	147	0.59
30	A"	100	95	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	-2.113	-1.231	0.000
H2	-2.677	-0.297	0.000
H3	-2.411	-1.808	0.882
H4	-2.411	-1.808	-0.882
C5	0.000	0.172	0.000
H6	-0.007	-1.907	0.000
C7	-0.627	-1.014	0.000
H8	-0.268	2.098	0.883
H9	-0.268	2.098	-0.883
C10	-0.600	1.544	0.000
Cl11	1.751	0.194	0.000
H12	-1.690	1.502	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.0907	1.0951	1.0951	2.5362	2.2115	1.5014	3.9070	3.9070	3.1606	4.1185	2.7659
H2	1.0907		1.7691	1.7691	2.7177	3.1173	2.1711	3.5100	3.5100	2.7756	4.4554	2.0526
H3	1.0951	1.7691		1.7633	3.2423	2.5627	2.1427	4.4553	4.7921	3.9108	4.7024	3.5009
H4	1.0951	1.7691	1.7633		3.2423	2.5627	2.1427	4.7921	4.4553	3.9108	4.7024	3.5009
C5	2.5362	2.7177	3.2423	3.2423		2.0788	1.3413	2.1355	2.1355	1.4976	1.7515	2.1507
H6	2.2115	3.1173	2.5627	2.5627	2.0788		1.0874	4.1091	4.1091	3.5015	2.7395	3.8018
C7	1.5014	2.1711	2.1427	2.1427	1.3413	1.0874		3.2542	3.2542	2.5578	2.6676	2.7311
H8	3.9070	3.5100	4.4553	4.7921	2.1355	4.1091	3.2542		1.7661	1.0940	2.9124	1.7767
H9	3.9070	3.5100	4.7921	4.4553	2.1355	4.1091	3.2542	1.7661		1.0940	2.9124	1.7767
C10	3.1606	2.7756	3.9108	3.9108	1.4976	3.5015	2.5578	1.0940	1.0940		2.7116	1.0906
Cl11	4.1185	4.4554	4.7024	4.7024	1.7515	2.7395	2.6676	2.9124	2.9124	2.7116		3.6816
H12	2.7659	2.0526	3.5009	3.5009	2.1507	3.8018	2.7311	1.7767	1.7767	1.0906	3.6816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	126.206	C1	C7	H6	116.447
H2	C1	H3	108.061	H2	C1	H4	108.061
H2	C1	C7	112.812	H3	C1	H4	107.232
H3	C1	C7	110.242	H4	C1	C7	110.242
C5	C7	H6	117.347	C5	C10	H8	110.001
C5	C10	H9	110.001	C5	C10	H12	111.429
C7	C5	C10	128.496	C7	C5	Cl11	118.596
H8	C10	H9	107.642	H8	C10	H12	108.839
H9	C10	H12	108.839	C10	C5	Cl11	112.908

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

using model chemistry: MP2/6-311G**

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

using model chemistry: MP2/6-311G**

States and conformations

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