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	hartrees
Energy at 0K	-615.734213
Energy at 298.15K	-615.741152
HF Energy	-615.012642
Nuclear repulsion energy	213.887343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	3021	16.24
2	A'	3206	3008	5.29
3	A'	3196	2999	10.64
4	A'	3106	2914	16.38
5	A'	3103	2911	18.31
6	A'	1806	1695	9.95
7	A'	1556	1460	9.47
8	A'	1549	1453	0.90
9	A'	1481	1390	3.01
10	A'	1477	1386	4.20
11	A'	1376	1291	24.60
12	A'	1219	1143	24.95
13	A'	1145	1075	1.44
14	A'	1082	1015	14.01
15	A'	948	890	22.52
16	A'	642	602	19.95
17	A'	541	507	0.41
18	A'	352	330	0.40
19	A'	245	230	1.25
20	A"	3179	2983	10.97
21	A"	3162	2967	17.60
22	A"	1549	1453	6.94
23	A"	1531	1437	9.39
24	A"	1111	1043	0.16
25	A"	1096	1029	1.26
26	A"	842	790	13.96
27	A"	475	446	1.18
28	A"	254	239	1.87
29	A"	190	179	1.13
30	A"	89	84	0.03

Atom	x (Å)	y (Å)	z (Å)
H1	0.336	2.631	0.000
Cl2	-1.290	-0.673	0.000
C3	1.854	-1.226	0.000
C4	-0.505	1.933	0.000
H5	-1.122	2.122	0.884
H6	-1.122	2.122	-0.884
C7	0.000	0.522	0.000
C8	1.283	0.159	0.000
H9	2.008	0.973	0.000
H10	1.069	-1.984	0.000
H11	2.485	-1.378	-0.883
H12	2.485	-1.378	0.883

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6821	4.1452	1.0934	1.7796	1.7796	2.1361	2.6474	2.3546	4.6732	4.6335	4.6335
Cl2	3.6821		3.1920	2.7210	2.9358	2.9358	1.7578	2.7042	3.6855	2.6991	3.9401	3.9401
C3	4.1452	3.1920		3.9428	4.5660	4.5660	2.5478	1.4980	2.2047	1.0910	1.0955	1.0955
C4	1.0934	2.7210	3.9428		1.0943	1.0943	1.4991	2.5192	2.6903	4.2218	4.5478	4.5478
H5	1.7796	2.9358	4.5660	1.0943		1.7680	2.1452	3.2282	3.4494	4.7375	5.3273	5.0259
H6	1.7796	2.9358	4.5660	1.0943	1.7680		2.1452	3.2282	3.4494	4.7375	5.0259	5.3273
C7	2.1361	1.7578	2.5478	1.4991	2.1452	2.1452		1.3335	2.0580	2.7243	3.2498	3.2498
C8	2.6474	2.7042	1.4980	2.5192	3.2282	3.2282	1.3335		1.0898	2.1538	2.1412	2.1412
H9	2.3546	3.6855	2.2047	2.6903	3.4494	3.4494	2.0580	1.0898		3.1027	2.5562	2.5562
H10	4.6732	2.6991	1.0910	4.2218	4.7375	4.7375	2.7243	2.1538	3.1027		1.7750	1.7750
H11	4.6335	3.9401	1.0955	4.5478	5.3273	5.0259	3.2498	2.1412	2.5562	1.7750		1.7653
H12	4.6335	3.9401	1.0955	4.5478	5.0259	5.3273	3.2498	2.1412	2.5562	1.7750	1.7653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.868	H1	C4	H6	108.868
H1	C4	C7	109.983	Cl2	C7	C4	113.090
Cl2	C7	C8	121.428	C3	C8	C7	128.164
C3	C8	H9	115.947	C4	C7	C8	125.481
H5	C4	H6	107.763	H5	C4	C7	110.649
H6	C4	C7	110.649	C7	C8	H9	115.889
C8	C3	H10	111.626	C8	C3	H11	110.330
C8	C3	H12	110.330	H10	C3	H11	108.538
H10	C3	H12	108.538	H11	C3	H12	107.354

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

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

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