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	hartrees
Energy at 0K	-615.330710
Energy at 298.15K	-615.337389
HF Energy	-614.929148
Nuclear repulsion energy	204.931956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3069	14.99
2	A'	3149	3040	21.23
3	A'	3136	3027	26.34
4	A'	3031	2926	19.47
5	A'	3022	2917	34.30
6	A'	1690	1631	16.81
7	A'	1543	1489	12.43
8	A'	1535	1482	9.43
9	A'	1474	1423	9.88
10	A'	1457	1407	1.75
11	A'	1382	1334	3.42
12	A'	1169	1129	43.49
13	A'	1107	1068	13.84
14	A'	1027	991	8.79
15	A'	903	872	13.59
16	A'	644	622	18.48
17	A'	412	398	7.30
18	A'	335	324	0.38
19	A'	259	250	0.48
20	A"	3123	3015	19.47
21	A"	3106	2998	26.47
22	A"	1525	1472	15.35
23	A"	1513	1461	2.73
24	A"	1104	1066	0.05
25	A"	1088	1050	0.06
26	A"	816	788	31.28
27	A"	413	399	5.03
28	A"	223	215	0.54
29	A"	161	155	0.58
30	A"	101	98	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	-2.410	-0.736	0.000
H2	-2.750	0.312	0.000
H3	-2.831	-1.234	0.892
H4	-2.831	-1.234	-0.892
C5	0.000	0.185	0.000
H6	-0.478	-1.875	0.000
C7	-0.882	-0.856	0.000
H8	0.209	2.150	0.893
H9	0.209	2.150	-0.893
C10	-0.247	1.687	0.000
Cl11	1.825	-0.227	0.000
H12	-1.327	1.906	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.1019	1.1053	1.1053	2.5795	2.2425	1.5329	3.9973	3.9973	3.2478	4.2654	2.8555
H2	1.1019		1.7869	1.7869	2.7528	3.1536	2.2037	3.5951	3.5951	2.8557	4.6068	2.1368
H3	1.1053	1.7869		1.7847	3.2897	2.5966	2.1768	4.5480	4.8859	4.0006	4.8465	3.5942
H4	1.1053	1.7869	1.7847		3.2897	2.5966	2.1768	4.8859	4.5480	4.0006	4.8465	3.5942
C5	2.5795	2.7528	3.2897	3.2897		2.1147	1.3640	2.1684	2.1684	1.5227	1.8711	2.1736
H6	2.2425	3.1536	2.5966	2.5966	2.1147		1.0958	4.1795	4.1795	3.5699	2.8324	3.8756
C7	1.5329	2.2037	2.1768	2.1768	1.3640	1.0958		3.3198	3.3198	2.6215	2.7789	2.7983
H8	3.9973	3.5951	4.5480	4.8859	2.1684	4.1795	3.3198		1.7860	1.1039	3.0100	1.7927
H9	3.9973	3.5951	4.8859	4.5480	2.1684	4.1795	3.3198	1.7860		1.1039	3.0100	1.7927
C10	3.2478	2.8557	4.0006	4.0006	1.5227	3.5699	2.6215	1.1039	1.1039		2.8211	1.1018
Cl11	4.2654	4.6068	4.8465	4.8465	1.8711	2.8324	2.7789	3.0100	3.0100	2.8211		3.8061
H12	2.8555	2.1368	3.5942	3.5942	2.1736	3.8756	2.7983	1.7927	1.7927	1.1018	3.8061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	125.752	C1	C7	H6	116.100
H2	C1	H3	108.113	H2	C1	H4	108.113
H2	C1	C7	112.488	H3	C1	H4	107.680
H3	C1	C7	110.148	H4	C1	C7	110.148
C5	C7	H6	118.148	C5	C10	H8	110.267
C5	C10	H9	110.267	C5	C10	H12	110.805
C7	C5	C10	130.406	C7	C5	Cl11	117.548
H8	C10	H9	107.977	H8	C10	H12	108.727
H9	C10	H12	108.727	C10	C5	Cl11	112.046

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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