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	hartrees
Energy at 0K	-615.811694
Energy at 298.15K	-615.818360
HF Energy	-615.085263
Nuclear repulsion energy	211.413565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3053	11.99
2	A'	3207	3040	11.36
3	A'	3193	3026	11.10
4	A'	3092	2931	11.87
5	A'	3084	2923	26.15
6	A'	1728	1638	13.74
7	A'	1521	1442	8.48
8	A'	1508	1429	4.93
9	A'	1446	1371	6.47
10	A'	1433	1359	1.65
11	A'	1371	1299	1.07
12	A'	1170	1109	31.77
13	A'	1104	1046	28.41
14	A'	1028	975	6.68
15	A'	936	888	15.15
16	A'	690	654	16.63
17	A'	443	420	5.51
18	A'	352	333	0.27
19	A'	274	259	0.41
20	A"	3168	3003	8.00
21	A"	3152	2987	13.63
22	A"	1492	1415	13.51
23	A"	1476	1399	1.19
24	A"	1077	1021	2.38
25	A"	1056	1001	0.04
26	A"	802	761	19.12
27	A"	373	353	2.73
28	A"	219	208	0.40
29	A"	145	138	0.94
30	A"	69	66	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-1.939	-1.426	0.000
H2	-2.607	-0.592	0.000
H3	-2.149	-2.037	0.866
H4	-2.149	-2.037	-0.866
C5	0.000	0.201	0.000
H6	0.146	-1.811	0.000
C7	-0.525	-1.031	0.000
H8	-0.443	2.045	0.891
H9	-0.443	2.045	-0.891
C10	-0.713	1.476	0.000
Cl11	1.676	0.336	0.000
H12	-1.782	1.350	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.0675	1.0809	1.0809	2.5315	2.1210	1.4685	3.8832	3.8832	3.1506	4.0215	2.7797
H2	1.0675		1.7458	1.7458	2.7251	3.0108	2.1277	3.5260	3.5260	2.8050	4.3821	2.1102
H3	1.0809	1.7458		1.7323	3.2218	2.4636	2.0977	4.4247	4.7607	3.8935	4.5837	3.5153
H4	1.0809	1.7458	1.7323		3.2218	2.4636	2.0977	4.7607	4.4247	3.8935	4.5837	3.5153
C5	2.5315	2.7251	3.2218	3.2218		2.0179	1.3396	2.0951	2.0951	1.4607	1.6812	2.1196
H6	2.1210	3.0108	2.4636	2.4636	2.0179		1.0291	4.0016	4.0016	3.3980	2.6361	3.7024
C7	1.4685	2.1277	2.0977	2.0977	1.3396	1.0291		3.2037	3.2037	2.5145	2.5906	2.6921
H8	3.8832	3.5260	4.4247	4.7607	2.0951	4.0016	3.2037		1.7815	1.0907	2.8646	1.7518
H9	3.8832	3.5260	4.7607	4.4247	2.0951	4.0016	3.2037	1.7815		1.0907	2.8646	1.7518
C10	3.1506	2.8050	3.8935	3.8935	1.4607	3.3980	2.5145	1.0907	1.0907		2.6469	1.0764
Cl11	4.0215	4.3821	4.5837	4.5837	1.6812	2.6361	2.5906	2.8646	2.8646	2.6469		3.6030
H12	2.7797	2.1102	3.5153	3.5153	2.1196	3.7024	2.6921	1.7518	1.7518	1.0764	3.6030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	128.653	C1	C7	H6	115.124
H2	C1	H3	108.698	H2	C1	H4	108.698
H2	C1	C7	113.115	H3	C1	H4	106.514
H3	C1	C7	109.797	H4	C1	C7	109.797
C5	C7	H6	116.223	C5	C10	H8	109.549
C5	C10	H9	109.549	C5	C10	H12	112.442
C7	C5	C10	127.726	C7	C5	Cl11	117.653
H8	C10	H9	109.505	H8	C10	H12	107.869
H9	C10	H12	107.869	C10	C5	Cl11	114.621

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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