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	hartrees
Energy at 0K	-615.872474
Energy at 298.15K	-615.879268
HF Energy	-615.062699
Nuclear repulsion energy	211.462603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3041	21.12
2	A'	3203	3033	3.77
3	A'	3189	3021	9.90
4	A'	3089	2926	10.55
5	A'	3080	2917	23.78
6	A'	1734	1642	12.58
7	A'	1535	1454	12.54
8	A'	1522	1442	7.15
9	A'	1458	1381	10.43
10	A'	1448	1371	2.24
11	A'	1381	1308	1.40
12	A'	1177	1115	35.42
13	A'	1114	1056	31.05
14	A'	1039	984	6.93
15	A'	945	895	13.65
16	A'	696	660	17.25
17	A'	447	424	5.34
18	A'	354	335	0.19
19	A'	275	261	0.27
20	A"	3164	2997	8.87
21	A"	3147	2980	14.73
22	A"	1523	1443	14.72
23	A"	1511	1431	4.96
24	A"	1079	1022	0.54
25	A"	1070	1014	0.06
26	A"	828	784	24.12
27	A"	426	403	5.41
28	A"	230	217	0.57
29	A"	150	142	0.55
30	A"	91	86	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	-2.127	-1.207	0.000
H2	-2.688	-0.274	0.000
H3	-2.431	-1.783	0.879
H4	-2.431	-1.783	-0.879
C5	0.000	0.175	0.000
H6	-0.032	-1.902	0.000
C7	-0.642	-1.002	0.000
H8	-0.236	2.106	0.881
H9	-0.236	2.106	-0.881
C10	-0.576	1.555	0.000
Cl11	1.752	0.169	0.000
H12	-1.665	1.536	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.0892	1.0940	1.0940	2.5364	2.2070	1.4991	3.9149	3.9149	3.1677	4.1158	2.7818
H2	1.0892		1.7654	1.7654	2.7256	3.1156	2.1721	3.5288	3.5288	2.7942	4.4625	2.0793
H3	1.0940	1.7654		1.7581	3.2427	2.5576	2.1410	4.4654	4.7996	3.9186	4.6989	3.5179
H4	1.0940	1.7654	1.7581		3.2427	2.5576	2.1410	4.7996	4.4654	3.9186	4.6989	3.5179
C5	2.5364	2.7256	3.2427	3.2427		2.0772	1.3402	2.1353	2.1353	1.4952	1.7521	2.1503
H6	2.2070	3.1156	2.5576	2.5576	2.0772		1.0875	4.1085	4.1085	3.4993	2.7336	3.8060
C7	1.4991	2.1721	2.1410	2.1410	1.3402	1.0875		3.2552	3.2552	2.5573	2.6648	2.7360
H8	3.9149	3.5288	4.4654	4.7996	2.1353	4.1085	3.2552		1.7612	1.0929	2.9118	1.7723
H9	3.9149	3.5288	4.7996	4.4654	2.1353	4.1085	3.2552	1.7612		1.0929	2.9118	1.7723
C10	3.1677	2.7942	3.9186	3.9186	1.4952	3.4993	2.5573	1.0929	1.0929		2.7089	1.0892
Cl11	4.1158	4.4625	4.6989	4.6989	1.7521	2.7336	2.6648	2.9118	2.9118	2.7089		3.6800
H12	2.7818	2.0793	3.5179	3.5179	2.1503	3.8060	2.7360	1.7723	1.7723	1.0892	3.6800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	126.494	C1	C7	H6	116.229
H2	C1	H3	107.922	H2	C1	H4	107.922
H2	C1	C7	113.155	H3	C1	H4	106.944
H3	C1	C7	110.332	H4	C1	C7	110.332
C5	C7	H6	117.276	C5	C10	H8	110.221
C5	C10	H9	110.221	C5	C10	H12	111.656
C7	C5	C10	128.742	C7	C5	Cl11	118.425
H8	C10	H9	107.369	H8	C10	H12	108.627
H9	C10	H12	108.627	C10	C5	Cl11	112.833

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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