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	hartrees
Energy at 0K	-615.745735
Energy at 298.15K	-615.752584
HF Energy	-615.022057
Nuclear repulsion energy	211.808063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3052	20.89
2	A'	3259	3045	3.79
3	A'	3246	3033	10.46
4	A'	3139	2933	10.48
5	A'	3130	2925	23.63
6	A'	1759	1644	12.04
7	A'	1557	1455	7.51
8	A'	1546	1445	3.46
9	A'	1475	1378	5.27
10	A'	1462	1366	1.78
11	A'	1390	1299	1.37
12	A'	1193	1114	34.29
13	A'	1126	1052	27.88
14	A'	1047	978	6.42
15	A'	955	892	12.75
16	A'	702	656	16.26
17	A'	449	419	5.59
18	A'	358	335	0.26
19	A'	279	260	0.48
20	A"	3223	3012	9.01
21	A"	3206	2996	15.38
22	A"	1542	1441	8.32
23	A"	1532	1431	3.03
24	A"	1098	1026	0.62
25	A"	1085	1014	0.10
26	A"	854	798	18.13
27	A"	439	410	2.67
28	A"	231	216	0.27
29	A"	153	143	0.36
30	A"	97	90	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	-2.119	-1.212	0.000
H2	-2.676	-0.281	0.000
H3	-2.421	-1.784	0.877
H4	-2.421	-1.784	-0.877
C5	0.000	0.173	0.000
H6	-0.031	-1.900	0.000
C7	-0.638	-1.004	0.000
H8	-0.252	2.097	0.879
H9	-0.252	2.097	-0.879
C10	-0.584	1.547	0.000
Cl11	1.751	0.178	0.000
H12	-1.669	1.515	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.0851	1.0895	1.0895	2.5313	2.1989	1.4957	3.8995	3.8995	3.1572	4.1120	2.7637
H2	1.0851		1.7589	1.7589	2.7139	3.1017	2.1627	3.5068	3.5068	2.7775	4.4505	2.0584
H3	1.0895	1.7589		1.7533	3.2341	2.5488	2.1346	4.4459	4.7799	3.9036	4.6929	3.4952
H4	1.0895	1.7589	1.7533		3.2341	2.5488	2.1346	4.7799	4.4459	3.9036	4.6929	3.4952
C5	2.5313	2.7139	3.2341	3.2341		2.0735	1.3388	2.1305	2.1305	1.4935	1.7511	2.1416
H6	2.1989	3.1017	2.5488	2.5488	2.0735		1.0823	4.0990	4.0990	3.4918	2.7373	3.7879
C7	1.4957	2.1627	2.1346	2.1346	1.3388	1.0823		3.2465	3.2465	2.5521	2.6652	2.7221
H8	3.8995	3.5068	4.4459	4.7799	2.1305	4.0990	3.2465		1.7573	1.0884	2.9105	1.7657
H9	3.8995	3.5068	4.7799	4.4459	2.1305	4.0990	3.2465	1.7573		1.0884	2.9105	1.7657
C10	3.1572	2.7775	3.9036	3.9036	1.4935	3.4918	2.5521	1.0884	1.0884		2.7075	1.0851
Cl11	4.1120	4.4505	4.6929	4.6929	1.7511	2.7373	2.6652	2.9105	2.9105	2.7075		3.6723
H12	2.7637	2.0584	3.4952	3.4952	2.1416	3.7879	2.7221	1.7657	1.7657	1.0851	3.6723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	126.423	C1	C7	H6	116.141
H2	C1	H3	107.962	H2	C1	H4	107.962
H2	C1	C7	112.892	H3	C1	H4	107.153
H3	C1	C7	110.332	H4	C1	C7	110.332
C5	C7	H6	117.436	C5	C10	H8	110.219
C5	C10	H9	110.219	C5	C10	H12	111.327
C7	C5	C10	128.519	C7	C5	Cl11	118.601
H8	C10	H9	107.659	H8	C10	H12	108.660
H9	C10	H12	108.660	C10	C5	Cl11	112.880

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

using model chemistry: MP2=FULL/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=FULL/6-31G**

States and conformations

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