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	hartrees
Energy at 0K	-615.751186
Energy at 298.15K	-615.758027
HF Energy	-615.064735
Nuclear repulsion energy	213.919247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3042	13.83
2	A'	3185	3027	10.21
3	A'	3179	3021	6.60
4	A'	3079	2926	24.09
5	A'	3077	2924	13.24
6	A'	1733	1647	11.53
7	A'	1532	1456	13.98
8	A'	1524	1448	0.36
9	A'	1452	1380	2.89
10	A'	1449	1377	7.19
11	A'	1347	1280	26.90
12	A'	1196	1137	27.73
13	A'	1133	1077	1.87
14	A'	1062	1009	12.90
15	A'	933	887	26.06
16	A'	638	607	18.78
17	A'	533	507	0.59
18	A'	347	330	0.34
19	A'	241	229	0.85
20	A"	3161	3004	10.17
21	A"	3145	2989	16.55
22	A"	1526	1450	9.81
23	A"	1507	1432	12.08
24	A"	1091	1037	0.21
25	A"	1067	1014	0.98
26	A"	805	765	19.17
27	A"	458	435	2.72
28	A"	252	239	2.62
29	A"	188	178	1.78
30	A"	62	59	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	0.328	2.634	0.000
Cl2	-1.287	-0.671	0.000
C3	1.850	-1.229	0.000
C4	-0.509	1.932	0.000
H5	-1.127	2.118	0.882
H6	-1.127	2.118	-0.882
C7	0.000	0.526	0.000
C8	1.287	0.157	0.000
H9	2.006	0.976	0.000
H10	1.067	-1.986	0.000
H11	2.482	-1.385	-0.880
H12	2.482	-1.385	0.880

	H1	Cl2	C3	C4	H5	H6	C7	C8	H9	H10	H11	H12
H1		3.6783	4.1527	1.0922	1.7775	1.7775	2.1337	2.6571	2.3597	4.6794	4.6447	4.6447
Cl2	3.6783		3.1872	2.7161	2.9292	2.9292	1.7575	2.7045	3.6824	2.6975	3.9361	3.9361
C3	4.1527	3.1872		3.9439	4.5657	4.5657	2.5503	1.4957	2.2105	1.0893	1.0943	1.0943
C4	1.0922	2.7161	3.9439		1.0931	1.0931	1.4948	2.5251	2.6903	4.2229	4.5518	4.5518
H5	1.7775	2.9292	4.5657	1.0931		1.7639	2.1408	3.2333	3.4495	4.7370	5.3293	5.0296
H6	1.7775	2.9292	4.5657	1.0931	1.7639		2.1408	3.2333	3.4495	4.7370	5.0296	5.3293
C7	2.1337	1.7575	2.5503	1.4948	2.1408	2.1408		1.3394	2.0562	2.7296	3.2537	3.2537
C8	2.6571	2.7045	1.4957	2.5251	3.2333	3.2333	1.3394		1.0900	2.1542	2.1398	2.1398
H9	2.3597	3.6824	2.2105	2.6903	3.4495	3.4495	2.0562	1.0900		3.1075	2.5644	2.5644
H10	4.6794	2.6975	1.0893	4.2229	4.7370	4.7370	2.7296	2.1542	3.1075		1.7710	1.7710
H11	4.6447	3.9361	1.0943	4.5518	5.3293	5.0296	3.2537	2.1398	2.5644	1.7710		1.7600
H12	4.6447	3.9361	1.0943	4.5518	5.0296	5.3293	3.2537	2.1398	2.5644	1.7710	1.7600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	H5	108.852	H1	C4	H6	108.852
H1	C4	C7	110.155	Cl2	C7	C4	113.010
Cl2	C7	C8	121.095	C3	C8	C7	128.113
C3	C8	H9	116.626	C4	C7	C8	125.894
H5	C4	H6	107.572	H5	C4	C7	110.670
H6	C4	C7	110.670	C7	C8	H9	115.260
C8	C3	H10	111.930	C8	C3	H11	110.455
C8	C3	H12	110.455	H10	C3	H11	108.391
H10	C3	H12	108.391	H11	C3	H12	107.061

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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