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	hartrees
Energy at 0K	-615.748250
Energy at 298.15K	-615.755193
HF Energy	-615.024157
Nuclear repulsion energy	214.445984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3259	3045	13.07
2	A'	3243	3030	10.69
3	A'	3237	3025	6.23
4	A'	3130	2925	23.04
5	A'	3129	2924	13.56
6	A'	1763	1648	10.62
7	A'	1556	1454	7.57
8	A'	1547	1446	0.53
9	A'	1468	1372	1.68
10	A'	1465	1369	2.32
11	A'	1359	1269	24.16
12	A'	1212	1133	27.08
13	A'	1145	1070	1.81
14	A'	1073	1002	12.34
15	A'	944	882	22.85
16	A'	644	602	18.58
17	A'	537	502	0.53
18	A'	350	327	0.32
19	A'	243	227	1.21
20	A"	3221	3010	10.30
21	A"	3206	2995	16.63
22	A"	1548	1446	5.43
23	A"	1530	1430	7.64
24	A"	1105	1033	0.07
25	A"	1083	1012	1.00
26	A"	833	778	12.86
27	A"	470	439	0.96
28	A"	254	238	1.67
29	A"	192	179	1.31
30	A"	92	86	0.04

Atom	x (Å)	y (Å)	z (Å)
H1	0.365	2.615	0.000
Cl2	-1.292	-0.658	0.000
C3	1.834	-1.241	0.000
C4	-0.482	1.933	0.000
H5	-1.093	2.131	0.879
H6	-1.093	2.131	-0.879
C7	0.000	0.519	0.000
C8	1.286	0.147	0.000
H9	2.004	0.958	0.000
H10	1.041	-1.982	0.000
H11	2.459	-1.406	-0.877
H12	2.459	-1.406	0.877

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6681	4.1260	1.0873	1.7696	1.7696	2.1271	2.6342	2.3304	4.6457	4.6171	4.6171
Cl2	3.6681		3.1800	2.7144	2.9313	2.9313	1.7478	2.7004	3.6712	2.6825	3.9242	3.9242
C3	4.1260	3.1800		3.9291	4.5512	4.5512	2.5418	1.4920	2.2058	1.0851	1.0896	1.0896
C4	1.0873	2.7144	3.9291		1.0886	1.0886	1.4938	2.5132	2.6706	4.2004	4.5350	4.5350
H5	1.7696	2.9313	4.5512	1.0886		1.7577	2.1371	3.2203	3.4266	4.7164	5.3115	5.0128
H6	1.7696	2.9313	4.5512	1.0886	1.7577		2.1371	3.2203	3.4266	4.7164	5.0128	5.3115
C7	2.1271	1.7478	2.5418	1.4938	2.1371	2.1371		1.3385	2.0517	2.7087	3.2435	3.2435
C8	2.6342	2.7004	1.4920	2.5132	3.2203	3.2203	1.3385		1.0840	2.1423	2.1344	2.1344
H9	2.3304	3.6712	2.2058	2.6706	3.4266	3.4266	2.0517	1.0840		3.0937	2.5622	2.5622
H10	4.6457	2.6825	1.0851	4.2004	4.7164	4.7164	2.7087	2.1423	3.0937		1.7640	1.7640
H11	4.6171	3.9242	1.0896	4.5350	5.3115	5.0128	3.2435	2.1344	2.5622	1.7640		1.7544
H12	4.6171	3.9242	1.0896	4.5350	5.0128	5.3115	3.2435	2.1344	2.5622	1.7640	1.7544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.834	H1	C4	H6	108.834
H1	C4	C7	109.996	Cl2	C7	C4	113.497
Cl2	C7	C8	121.517	C3	C8	C7	127.715
C3	C8	H9	116.924	C4	C7	C8	124.986
H5	C4	H6	107.673	H5	C4	C7	110.719
H6	C4	C7	110.719	C7	C8	H9	115.361
C8	C3	H10	111.486	C8	C3	H11	110.574
C8	C3	H12	110.574	H10	C3	H11	108.418
H10	C3	H12	108.418	H11	C3	H12	107.234

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

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-, (Z)-)

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

States and conformations

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