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	hartrees
Energy at 0K	-612.424555
Energy at 298.15K	-612.431309
HF Energy	-611.960744
Nuclear repulsion energy	205.992484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3061	4.40
2	A'	3123	3027	14.87
3	A'	3108	3013	13.24
4	A'	3039	2946	8.07
5	A'	3029	2936	17.58
6	A'	1734	1681	13.68
7	A'	1574	1526	10.15
8	A'	1565	1517	5.11
9	A'	1487	1441	7.18
10	A'	1470	1425	0.57
11	A'	1407	1363	2.58
12	A'	1170	1134	57.42
13	A'	1100	1066	6.59
14	A'	1012	981	9.22
15	A'	889	861	12.54
16	A'	645	625	21.07
17	A'	414	401	10.40
18	A'	332	322	0.26
19	A'	262	254	0.81
20	A"	3095	3000	9.78
21	A"	3078	2983	15.42
22	A"	1568	1520	8.61
23	A"	1557	1509	5.12
24	A"	1119	1085	0.01
25	A"	1116	1081	0.05
26	A"	874	847	26.01
27	A"	427	413	4.60
28	A"	226	219	0.17
29	A"	162	157	0.14
30	A"	106	103	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	-2.449	-0.525	0.000
H2	-2.695	0.544	0.000
H3	-2.903	-0.985	0.890
H4	-2.903	-0.985	-0.890
C5	0.000	0.182	0.000
H6	-0.629	-1.811	0.000
C7	-0.941	-0.766	0.000
H8	0.381	2.107	0.891
H9	0.381	2.107	-0.891
C10	-0.111	1.690	0.000
Cl11	1.796	-0.380	0.000
H12	-1.164	1.997	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.0968	1.1002	1.1002	2.5494	2.2285	1.5277	3.9658	3.9658	3.2213	4.2481	2.8305
H2	1.0968		1.7821	1.7821	2.7188	3.1323	2.1892	3.5627	3.5627	2.8268	4.5852	2.1102
H3	1.1002	1.7821		1.7804	3.2532	2.5773	2.1658	4.5106	4.8494	3.9686	4.8210	3.5654
H4	1.1002	1.7821	1.7804		3.2532	2.5773	2.1658	4.8494	4.5106	3.9686	4.8210	3.5654
C5	2.5494	2.7188	3.2532	3.2532		2.0900	1.3357	2.1545	2.1545	1.5122	1.8824	2.1563
H6	2.2285	3.1323	2.5773	2.5773	2.0900		1.0902	4.1425	4.1425	3.5393	2.8159	3.8453
C7	1.5277	2.1892	2.1658	2.1658	1.3357	1.0902		3.2852	3.2852	2.5928	2.7641	2.7722
H8	3.9658	3.5627	4.5106	4.8494	2.1545	4.1425	3.2852		1.7811	1.0991	2.9973	1.7867
H9	3.9658	3.5627	4.8494	4.5106	2.1545	4.1425	3.2852	1.7811		1.0991	2.9973	1.7867
C10	3.2213	2.8268	3.9686	3.9686	1.5122	3.5393	2.5928	1.0991	1.0991		2.8152	1.0974
Cl11	4.2481	4.5852	4.8210	4.8210	1.8824	2.8159	2.7641	2.9973	2.9973	2.8152		3.7972
H12	2.8305	2.1102	3.5654	3.5654	2.1563	3.8453	2.7722	1.7867	1.7867	1.0974	3.7972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	125.690	C1	C7	H6	115.683
H2	C1	H3	108.422	H2	C1	H4	108.422
H2	C1	C7	112.005	H3	C1	H4	108.015
H3	C1	C7	109.937	H4	C1	C7	109.937
C5	C7	H6	118.628	C5	C10	H8	110.190
C5	C10	H9	110.190	C5	C10	H12	110.432
C7	C5	C10	131.030	C7	C5	Cl11	117.379
H8	C10	H9	108.246	H8	C10	H12	108.866
H9	C10	H12	108.866	C10	C5	Cl11	111.591

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

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

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