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	hartrees
Energy at 0K	-615.738789
Energy at 298.15K	-615.745627
HF Energy	-615.043682
Nuclear repulsion energy	210.302330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	3067	16.03
2	A'	3213	3060	4.48
3	A'	3199	3047	9.26
4	A'	3090	2943	11.94
5	A'	3081	2935	26.58
6	A'	1732	1650	12.35
7	A'	1491	1420	7.21
8	A'	1481	1411	4.01
9	A'	1416	1349	6.00
10	A'	1411	1344	1.03
11	A'	1342	1279	1.27
12	A'	1167	1111	27.75
13	A'	1097	1045	36.21
14	A'	1023	974	7.12
15	A'	936	891	10.70
16	A'	690	657	15.40
17	A'	443	422	5.62
18	A'	347	331	0.39
19	A'	270	257	0.38
20	A"	3176	3026	7.10
21	A"	3158	3008	13.21
22	A"	1479	1409	10.05
23	A"	1469	1399	3.47
24	A"	1061	1010	0.54
25	A"	1049	999	0.07
26	A"	841	801	17.64
27	A"	433	412	3.15
28	A"	232	221	0.34
29	A"	162	154	0.55
30	A"	115	110	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	-2.136	-1.210	0.000
H2	-2.694	-0.263	0.000
H3	-2.447	-1.789	0.887
H4	-2.447	-1.789	-0.887
C5	0.000	0.175	0.000
H6	-0.027	-1.918	0.000
C7	-0.645	-1.012	0.000
H8	-0.238	2.114	0.889
H9	-0.238	2.114	-0.889
C10	-0.581	1.559	0.000
Cl11	1.761	0.172	0.000
H12	-1.680	1.535	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.0995	1.1041	1.1041	2.5456	2.2245	1.5043	3.9298	3.9298	3.1759	4.1352	2.7827
H2	1.0995		1.7823	1.7823	2.7296	3.1389	2.1821	3.5317	3.5317	2.7902	4.4768	2.0642
H3	1.1041	1.7823		1.7744	3.2606	2.5808	2.1539	4.4848	4.8238	3.9343	4.7270	3.5247
H4	1.1041	1.7823	1.7744		3.2606	2.5808	2.1539	4.8238	4.4848	3.9343	4.7270	3.5247
C5	2.5456	2.7296	3.2606	3.2606		2.0927	1.3505	2.1469	2.1469	1.5015	1.7614	2.1617
H6	2.2245	3.1389	2.5808	2.5808	2.0927		1.0965	4.1344	4.1344	3.5209	2.7508	3.8281
C7	1.5043	2.1821	2.1539	2.1539	1.3505	1.0965		3.2755	3.2755	2.5719	2.6817	2.7493
H8	3.9298	3.5317	4.4848	4.8238	2.1469	4.1344	3.2755		1.7781	1.1028	2.9258	1.7902
H9	3.9298	3.5317	4.8238	4.4848	2.1469	4.1344	3.2755	1.7781		1.1028	2.9258	1.7902
C10	3.1759	2.7902	3.9343	3.9343	1.5015	3.5209	2.5719	1.1028	1.1028		2.7223	1.0992
Cl11	4.1352	4.4768	4.7270	4.7270	1.7614	2.7508	2.6817	2.9258	2.9258	2.7223		3.7014
H12	2.7827	2.0642	3.5247	3.5247	2.1617	3.8281	2.7493	1.7902	1.7902	1.0992	3.7014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	126.088	C1	C7	H6	116.720
H2	C1	H3	107.966	H2	C1	H4	107.966
H2	C1	C7	112.947	H3	C1	H4	106.944
H3	C1	C7	110.396	H4	C1	C7	110.396
C5	C7	H6	117.192	C5	C10	H8	110.109
C5	C10	H9	110.109	C5	C10	H12	111.509
C7	C5	C10	128.711	C7	C5	Cl11	118.438
H8	C10	H9	107.451	H8	C10	H12	108.779
H9	C10	H12	108.779	C10	C5	Cl11	112.851

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

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-, (E)-)

using model chemistry: MP2/cc-pVDZ

States and conformations

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