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	hartrees
Energy at 0K	-41.012637
Energy at 298.15K	-41.019116
HF Energy	-40.611435
Nuclear repulsion energy	88.965724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3130	3055	16.92
2	A'	3102	3028	20.89
3	A'	3086	3012	28.64
4	A'	2982	2911	21.12
5	A'	2971	2900	38.79
6	A'	1667	1627	15.37
7	A'	1530	1493	10.19
8	A'	1521	1485	6.47
9	A'	1466	1431	7.15
10	A'	1449	1415	1.23
11	A'	1373	1340	2.50
12	A'	1158	1130	43.12
13	A'	1097	1071	16.79
14	A'	1017	993	6.61
15	A'	901	880	15.77
16	A'	646	630	20.44
17	A'	413	403	6.66
18	A'	332	324	0.33
19	A'	258	252	0.56
20	A"	3079	3005	20.74
21	A"	3059	2985	29.04
22	A"	1501	1465	13.73
23	A"	1484	1448	3.30
24	A"	1086	1060	2.04
25	A"	1067	1041	0.04
26	A"	784	765	27.19
27	A"	384	375	4.56
28	A"	210	205	0.39
29	A"	126	123	0.66
30	A"	35	34	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	-2.387	-0.808	0.000
H2	-2.753	0.229	0.000
H3	-2.794	-1.316	0.892
H4	-2.794	-1.316	-0.892
C5	0.000	0.184	0.000
H6	-0.420	-1.891	0.000
C7	-0.853	-0.885	0.000
H8	0.139	2.162	0.892
H9	0.139	2.162	-0.892
C10	-0.297	1.683	0.000
Cl11	1.829	-0.172	0.000
H12	-1.384	1.857	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.1004	1.1039	1.1039	2.5853	2.2450	1.5358	3.9995	3.9995	3.2515	4.2641	2.8482
H2	1.1004		1.7845	1.7845	2.7536	3.1525	2.2028	3.5905	3.5905	2.8537	4.5999	2.1273
H3	1.1039	1.7845		1.7831	3.2946	2.6003	2.1791	4.5494	4.8865	4.0028	4.8458	3.5853
H4	1.1039	1.7845	1.7831		3.2946	2.6003	2.1791	4.8865	4.5494	4.0028	4.8458	3.5853
C5	2.5853	2.7536	3.2946	3.2946		2.1175	1.3682	2.1738	2.1738	1.5276	1.8635	2.1712
H6	2.2450	3.1525	2.6003	2.6003	2.1175		1.0950	4.1873	4.1873	3.5759	2.8315	3.8702
C7	1.5358	2.2028	2.1791	2.1791	1.3682	1.0950		3.3262	3.3262	2.6275	2.7757	2.7934
H8	3.9995	3.5905	4.5494	4.8865	2.1738	4.1873	3.3262		1.7838	1.1022	3.0164	1.7904
H9	3.9995	3.5905	4.8865	4.5494	2.1738	4.1873	3.3262	1.7838		1.1022	3.0164	1.7904
C10	3.2515	2.8537	4.0028	4.0028	1.5276	3.5759	2.6275	1.1022	1.1022		2.8215	1.1004
Cl11	4.2641	4.5999	4.8458	4.8458	1.8635	2.8315	2.7757	3.0164	3.0164	2.8215		3.8000
H12	2.8482	2.1273	3.5853	3.5853	2.1712	3.8702	2.7934	1.7904	1.7904	1.1004	3.8000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	125.710	C1	C7	H6	116.155
H2	C1	H3	108.111	H2	C1	H4	108.111
H2	C1	C7	112.307	H3	C1	H4	107.741
H3	C1	C7	110.214	H4	C1	C7	110.214
C5	C7	H6	118.135	C5	C10	H8	110.451
C5	C10	H9	110.451	C5	C10	H12	110.353
C7	C5	C10	130.195	C7	C5	Cl11	117.570
H8	C10	H9	108.026	H8	C10	H12	108.748
H9	C10	H12	108.748	C10	C5	Cl11	112.235

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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