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	hartrees
Energy at 0K	-615.967324
Energy at 298.15K	-615.974185
HF Energy	-615.100611
Nuclear repulsion energy	212.258721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3057	7.93
2	A'	3197	3042	9.90
3	A'	3185	3030	8.37
4	A'	3083	2934	9.91
5	A'	3076	2927	22.70
6	A'	1719	1635	12.01
7	A'	1508	1435	8.04
8	A'	1496	1423	4.44
9	A'	1426	1357	6.96
10	A'	1415	1346	1.38
11	A'	1353	1287	0.63
12	A'	1163	1107	28.60
13	A'	1095	1042	33.01
14	A'	1020	971	7.43
15	A'	935	889	12.89
16	A'	690	656	15.34
17	A'	444	422	5.26
18	A'	350	333	0.36
19	A'	273	260	0.41
20	A"	3157	3004	5.27
21	A"	3142	2989	10.21
22	A"	1497	1424	10.25
23	A"	1485	1413	4.27
24	A"	1067	1016	1.47
25	A"	1061	1009	0.43
26	A"	852	810	17.21
27	A"	444	422	3.31
28	A"	233	222	0.58
29	A"	162	154	0.46
30	A"	116	111	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	-2.132	-1.174	0.000
H2	-2.669	-0.229	0.000
H3	-2.446	-1.741	0.877
H4	-2.446	-1.741	-0.877
C5	0.000	0.171	0.000
H6	-0.049	-1.898	0.000
C7	-0.647	-0.997	0.000
H8	-0.218	2.094	0.879
H9	-0.218	2.094	-0.879
C10	-0.562	1.550	0.000
Cl11	1.749	0.152	0.000
H12	-1.648	1.534	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.0862	1.0901	1.0901	2.5207	2.2058	1.4953	3.8879	3.8879	3.1444	4.1018	2.7509
H2	1.0862		1.7614	1.7614	2.6987	3.1065	2.1623	3.4897	3.4897	2.7583	4.4347	2.0378
H3	1.0901	1.7614		1.7536	3.2255	2.5570	2.1345	4.4349	4.7697	3.8922	4.6851	3.4828
H4	1.0901	1.7614	1.7536		3.2255	2.5570	2.1345	4.7697	4.4349	3.8922	4.6851	3.4828
C5	2.5207	2.6987	3.2255	3.2255		2.0698	1.3351	2.1258	2.1258	1.4895	1.7495	2.1389
H6	2.2058	3.1065	2.5570	2.5570	2.0698		1.0821	4.0916	4.0916	3.4866	2.7273	3.7869
C7	1.4953	2.1623	2.1345	2.1345	1.3351	1.0821		3.2420	3.2420	2.5486	2.6579	2.7217
H8	3.8879	3.4897	4.4349	4.7697	2.1258	4.0916	3.2420		1.7575	1.0890	2.9007	1.7694
H9	3.8879	3.4897	4.7697	4.4349	2.1258	4.0916	3.2420	1.7575		1.0890	2.9007	1.7694
C10	3.1444	2.7583	3.8922	3.8922	1.4895	3.4866	2.5486	1.0890	1.0890		2.7010	1.0866
Cl11	4.1018	4.4347	4.6851	4.6851	1.7495	2.7273	2.6579	2.9007	2.9007	2.7010		3.6678
H12	2.7509	2.0378	3.4828	3.4828	2.1389	3.7869	2.7217	1.7694	1.7694	1.0866	3.6678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	125.799	C1	C7	H6	116.784
H2	C1	H3	108.060	H2	C1	H4	108.060
H2	C1	C7	112.815	H3	C1	H4	107.084
H3	C1	C7	110.309	H4	C1	C7	110.309
C5	C7	H6	117.417	C5	C10	H8	110.089
C5	C10	H9	110.089	C5	C10	H12	111.303
C7	C5	C10	128.845	C7	C5	Cl11	118.392
H8	C10	H9	107.591	H8	C10	H12	108.839
H9	C10	H12	108.839	C10	C5	Cl11	112.763

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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