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	hartrees
Energy at 0K	-615.717489
Energy at 298.15K	-615.724415
HF Energy	-615.024072
Nuclear repulsion energy	214.194679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3048	13.60
2	A'	3239	3034	10.02
3	A'	3233	3028	6.85
4	A'	3128	2929	22.95
5	A'	3126	2928	14.02
6	A'	1760	1648	10.60
7	A'	1554	1455	7.30
8	A'	1545	1447	0.59
9	A'	1466	1373	1.60
10	A'	1462	1369	2.14
11	A'	1356	1270	24.22
12	A'	1210	1133	27.29
13	A'	1144	1071	1.81
14	A'	1071	1003	12.11
15	A'	943	883	22.82
16	A'	643	602	18.79
17	A'	536	502	0.52
18	A'	349	327	0.32
19	A'	242	226	1.23
20	A"	3217	3013	10.52
21	A"	3202	2998	16.96
22	A"	1545	1447	5.33
23	A"	1527	1430	7.47
24	A"	1104	1034	0.05
25	A"	1080	1012	0.97
26	A"	829	776	12.89
27	A"	466	436	0.92
28	A"	253	237	1.67
29	A"	191	179	1.30
30	A"	91	85	0.04

Atom	x (Å)	y (Å)	z (Å)
H1	0.366	2.617	0.000
Cl2	-1.294	-0.659	0.000
C3	1.836	-1.242	0.000
C4	-0.483	1.935	0.000
H5	-1.094	2.134	0.880
H6	-1.094	2.134	-0.880
C7	0.000	0.520	0.000
C8	1.287	0.147	0.000
H9	2.006	0.959	0.000
H10	1.043	-1.984	0.000
H11	2.462	-1.407	-0.878
H12	2.462	-1.407	0.878

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6720	4.1298	1.0885	1.7716	1.7716	2.1289	2.6363	2.3320	4.6503	4.6212	4.6212
Cl2	3.6720		3.1841	2.7177	2.9348	2.9348	1.7500	2.7037	3.6753	2.6862	3.9290	3.9290
C3	4.1298	3.1841		3.9337	4.5563	4.5563	2.5449	1.4937	2.2082	1.0862	1.0907	1.0907
C4	1.0885	2.7177	3.9337		1.0897	1.0897	1.4956	2.5161	2.6734	4.2055	4.5400	4.5400
H5	1.7716	2.9348	4.5563	1.0897		1.7598	2.1394	3.2238	3.4300	4.7219	5.3172	5.0182
H6	1.7716	2.9348	4.5563	1.0897	1.7598		2.1394	3.2238	3.4300	4.7219	5.0182	5.3172
C7	2.1289	1.7500	2.5449	1.4956	2.1394	2.1394		1.3401	2.0538	2.7120	3.2471	3.2471
C8	2.6363	2.7037	1.4937	2.5161	3.2238	3.2238	1.3401		1.0850	2.1446	2.1366	2.1366
H9	2.3320	3.6753	2.2082	2.6734	3.4300	3.4300	2.0538	1.0850		3.0970	2.5648	2.5648
H10	4.6503	2.6862	1.0862	4.2055	4.7219	4.7219	2.7120	2.1446	3.0970		1.7659	1.7659
H11	4.6212	3.9290	1.0907	4.5400	5.3172	5.0182	3.2471	2.1366	2.5648	1.7659		1.7564
H12	4.6212	3.9290	1.0907	4.5400	5.0182	5.3172	3.2471	2.1366	2.5648	1.7659	1.7564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.848	H1	C4	H6	108.848
H1	C4	C7	109.946	Cl2	C7	C4	113.493
Cl2	C7	C8	121.522	C3	C8	C7	127.726
C3	C8	H9	116.925	C4	C7	C8	124.985
H5	C4	H6	107.705	H5	C4	C7	110.716
H6	C4	C7	110.716	C7	C8	H9	115.349
C8	C3	H10	111.487	C8	C3	H11	110.560
C8	C3	H12	110.560	H10	C3	H11	108.426
H10	C3	H12	108.426	H11	C3	H12	107.245

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

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

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: MP2/6-31G**

States and conformations

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