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	hartrees
Energy at 0K	-615.336135
Energy at 298.15K	-615.342877
HF Energy	-614.927531
Nuclear repulsion energy	206.426218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3059	9.80
2	A'	3168	3031	16.80
3	A'	3155	3019	18.74
4	A'	3068	2936	12.61
5	A'	3059	2927	25.45
6	A'	1732	1657	16.13
7	A'	1572	1504	9.60
8	A'	1563	1496	6.29
9	A'	1499	1434	7.23
10	A'	1479	1415	0.75
11	A'	1412	1351	2.77
12	A'	1182	1131	48.53
13	A'	1122	1074	17.12
14	A'	1047	1002	8.09
15	A'	925	885	13.76
16	A'	658	630	22.23
17	A'	422	404	9.46
18	A'	344	329	0.29
19	A'	268	256	0.68
20	A"	3144	3008	12.86
21	A"	3127	2992	20.11
22	A"	1556	1489	10.28
23	A"	1542	1475	4.58
24	A"	1125	1077	0.19
25	A"	1116	1067	0.13
26	A"	870	832	25.61
27	A"	435	416	4.08
28	A"	226	216	0.26
29	A"	140	134	0.19
30	A"	91	87	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	-2.396	-0.711	0.000
H2	-2.730	0.333	0.000
H3	-2.821	-1.203	0.887
H4	-2.821	-1.203	-0.887
C5	0.000	0.184	0.000
H6	-0.493	-1.854	0.000
C7	-0.883	-0.835	0.000
H8	0.215	2.138	0.888
H9	0.215	2.138	-0.888
C10	-0.235	1.673	0.000
Cl11	1.813	-0.241	0.000
H12	-1.310	1.893	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.0968	1.0999	1.0999	2.5576	2.2197	1.5179	3.9651	3.9651	3.2174	4.2352	2.8211
H2	1.0968		1.7765	1.7765	2.7345	3.1291	2.1860	3.5666	3.5666	2.8321	4.5801	2.1094
H3	1.0999	1.7765		1.7745	3.2663	2.5749	2.1627	4.5143	4.8507	3.9678	4.8152	3.5572
H4	1.0999	1.7765	1.7745		3.2663	2.5749	2.1627	4.8507	4.5143	3.9678	4.8152	3.5572
C5	2.5576	2.7345	3.2663	3.2663		2.0971	1.3488	2.1567	2.1567	1.5069	1.8627	2.1528
H6	2.2197	3.1291	2.5749	2.5749	2.0971		1.0909	4.1505	4.1505	3.5363	2.8139	3.8348
C7	1.5179	2.1860	2.1627	2.1627	1.3488	1.0909		3.2916	3.2916	2.5904	2.7608	2.7611
H8	3.9651	3.5666	4.5143	4.8507	2.1567	4.1505	3.2916		1.7753	1.0987	3.0011	1.7815
H9	3.9651	3.5666	4.8507	4.5143	2.1567	4.1505	3.2916	1.7753		1.0987	3.0011	1.7815
C10	3.2174	2.8321	3.9678	3.9678	1.5069	3.5363	2.5904	1.0987	1.0987		2.8039	1.0971
Cl11	4.2352	4.5801	4.8152	4.8152	1.8627	2.8139	2.7608	3.0011	3.0011	2.8039		3.7830
H12	2.8211	2.1094	3.5572	3.5572	2.1528	3.8348	2.7611	1.7815	1.7815	1.0971	3.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	126.203	C1	C7	H6	115.642
H2	C1	H3	107.939	H2	C1	H4	107.939
H2	C1	C7	112.458	H3	C1	H4	107.541
H3	C1	C7	110.396	H4	C1	C7	110.396
C5	C7	H6	118.155	C5	C10	H8	110.758
C5	C10	H9	110.758	C5	C10	H12	110.538
C7	C5	C10	130.130	C7	C5	Cl11	117.669
H8	C10	H9	107.793	H8	C10	H12	108.450
H9	C10	H12	108.450	C10	C5	Cl11	112.201

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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