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	hartrees
Energy at 0K	-615.755619
Energy at 298.15K	-615.762371
HF Energy	-615.024913
Nuclear repulsion energy	211.655984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3059	22.55
2	A'	3249	3052	4.27
3	A'	3236	3039	8.68
4	A'	3128	2937	13.37
5	A'	3120	2930	28.39
6	A'	1744	1638	12.71
7	A'	1545	1451	9.81
8	A'	1532	1439	5.78
9	A'	1467	1377	6.65
10	A'	1454	1366	1.80
11	A'	1386	1302	1.09
12	A'	1187	1115	33.83
13	A'	1120	1052	29.67
14	A'	1042	979	5.95
15	A'	950	892	14.57
16	A'	699	656	16.55
17	A'	447	420	5.22
18	A'	357	336	0.22
19	A'	277	260	0.37
20	A"	3211	3015	7.80
21	A"	3195	3001	13.10
22	A"	1524	1432	11.79
23	A"	1512	1420	2.87
24	A"	1087	1020	2.93
25	A"	1068	1003	0.06
26	A"	837	786	20.67
27	A"	392	368	3.82
28	A"	226	212	0.69
29	A"	144	135	0.65
30	A"	86	81	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	-2.114	-1.225	0.000
H2	-2.676	-0.295	0.000
H3	-2.412	-1.799	0.877
H4	-2.412	-1.799	-0.877
C5	0.000	0.174	0.000
H6	-0.020	-1.902	0.000
C7	-0.632	-1.009	0.000
H8	-0.265	2.097	0.879
H9	-0.265	2.097	-0.879
C10	-0.594	1.545	0.000
Cl11	1.751	0.187	0.000
H12	-1.679	1.503	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.0857	1.0900	1.0900	2.5347	2.2013	1.4972	3.9023	3.9023	3.1596	4.1151	2.7626
H2	1.0857		1.7603	1.7603	2.7164	3.1041	2.1641	3.5084	3.5084	2.7787	4.4530	2.0566
H3	1.0900	1.7603		1.7547	3.2372	2.5506	2.1356	4.4485	4.7828	3.9061	4.6957	3.4945
H4	1.0900	1.7603	1.7547		3.2372	2.5506	2.1356	4.7828	4.4485	3.9061	4.6957	3.4945
C5	2.5347	2.7164	3.2372	3.2372		2.0760	1.3413	2.1316	2.1316	1.4944	1.7513	2.1414
H6	2.2013	3.1041	2.5506	2.5506	2.0760		1.0831	4.1024	4.1024	3.4947	2.7390	3.7881
C7	1.4972	2.1641	2.1356	2.1356	1.3413	1.0831		3.2494	3.2494	2.5545	2.6672	2.7216
H8	3.9023	3.5084	4.4485	4.7828	2.1316	4.1024	3.2494		1.7587	1.0892	2.9132	1.7675
H9	3.9023	3.5084	4.7828	4.4485	2.1316	4.1024	3.2494	1.7587		1.0892	2.9132	1.7675
C10	3.1596	2.7787	3.9061	3.9061	1.4944	3.4947	2.5545	1.0892	1.0892		2.7096	1.0856
Cl11	4.1151	4.4530	4.6957	4.6957	1.7513	2.7390	2.6672	2.9132	2.9132	2.7096		3.6736
H12	2.7626	2.0566	3.4945	3.4945	2.1414	3.7881	2.7216	1.7675	1.7675	1.0856	3.6736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	126.414	C1	C7	H6	116.184
H2	C1	H3	108.008	H2	C1	H4	108.008
H2	C1	C7	112.862	H3	C1	H4	107.203
H3	C1	C7	110.280	H4	C1	C7	110.280
C5	C7	H6	117.401	C5	C10	H8	110.207
C5	C10	H9	110.207	C5	C10	H12	111.210
C7	C5	C10	128.454	C7	C5	Cl11	118.584
H8	C10	H9	107.681	H8	C10	H12	108.723
H9	C10	H12	108.723	C10	C5	Cl11	112.962

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3CClCHCH3 (2-Butene, 2-chloro-, (E)-)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

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