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	hartrees
Energy at 0K	-615.741154
Energy at 298.15K	-615.748058
HF Energy	-615.045923
Nuclear repulsion energy	212.950154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3061	10.55
2	A'	3198	3046	10.80
3	A'	3192	3040	4.74
4	A'	3083	2937	26.45
5	A'	3082	2935	15.25
6	A'	1736	1654	11.55
7	A'	1489	1419	8.70
8	A'	1481	1410	0.79
9	A'	1410	1343	1.10
10	A'	1407	1340	2.67
11	A'	1312	1250	23.87
12	A'	1184	1127	28.38
13	A'	1133	1079	1.72
14	A'	1036	987	12.92
15	A'	921	877	21.27
16	A'	635	605	17.60
17	A'	526	501	0.58
18	A'	341	324	0.38
19	A'	236	225	1.32
20	A"	3176	3025	8.26
21	A"	3160	3010	14.33
22	A"	1485	1414	6.06
23	A"	1467	1397	8.66
24	A"	1068	1017	0.14
25	A"	1047	997	1.12
26	A"	816	777	12.66
27	A"	462	440	1.14
28	A"	253	241	1.58
29	A"	194	185	1.87
30	A"	103	98	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	0.361	2.641	0.000
Cl2	-1.296	-0.663	0.000
C3	1.844	-1.249	0.000
C4	-0.492	1.944	0.000
H5	-1.114	2.138	0.890
H6	-1.114	2.138	-0.890
C7	0.000	0.525	0.000
C8	1.297	0.148	0.000
H9	2.021	0.974	0.000
H10	1.039	-1.997	0.000
H11	2.478	-1.417	-0.888
H12	2.478	-1.417	0.888

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6960	4.1630	1.1013	1.7943	1.7943	2.1469	2.6627	2.3523	4.6875	4.6622	4.6622
Cl2	3.6960		3.1945	2.7280	2.9442	2.9442	1.7579	2.7169	3.6989	2.6896	3.9500	3.9500
C3	4.1630	3.1945		3.9559	4.5838	4.5838	2.5583	1.5004	2.2301	1.0991	1.1039	1.1039
C4	1.1013	2.7280	3.9559		1.1028	1.1028	1.5022	2.5345	2.6931	4.2279	4.5719	4.5719
H5	1.7943	2.9442	4.5838	1.1028		1.7793	2.1531	3.2500	3.4600	4.7461	5.3571	5.0536
H6	1.7943	2.9442	4.5838	1.1028	1.7793		2.1531	3.2500	3.4600	4.7461	5.0536	5.3571
C7	2.1469	1.7579	2.5583	1.5022	2.1531	2.1531		1.3502	2.0700	2.7273	3.2707	3.2707
C8	2.6627	2.7169	1.5004	2.5345	3.2500	3.2500	1.3502		1.0983	2.1608	2.1524	2.1524
H9	2.3523	3.6989	2.2301	2.6931	3.4600	3.4600	2.0700	1.0983		3.1294	2.5912	2.5912
H10	4.6875	2.6896	1.0991	4.2279	4.7461	4.7461	2.7273	2.1608	3.1294		1.7879	1.7879
H11	4.6622	3.9500	1.1039	4.5719	5.3571	5.0536	3.2707	2.1524	2.5912	1.7879		1.7757
H12	4.6622	3.9500	1.1039	4.5719	5.0536	5.3571	3.2707	2.1524	2.5912	1.7879	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.990	H1	C4	H6	108.990
H1	C4	C7	110.155	Cl2	C7	C4	113.372
Cl2	C7	C8	121.330	C3	C8	C7	127.572
C3	C8	H9	117.383	C4	C7	C8	125.298
H5	C4	H6	107.547	H5	C4	C7	110.548
H6	C4	C7	110.548	C7	C8	H9	115.044
C8	C3	H10	111.520	C8	C3	H11	110.553
C8	C3	H12	110.553	H10	C3	H11	108.496
H10	C3	H12	108.496	H11	C3	H12	107.084

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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