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	hartrees
Energy at 0K	-615.802007
Energy at 298.15K	-615.808816
HF Energy	-615.025278
Nuclear repulsion energy	211.436547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3045	13.47
2	A'	3251	3029	15.87
3	A'	3235	3014	13.34
4	A'	3139	2925	13.93
5	A'	3129	2915	29.41
6	A'	1790	1668	11.80
7	A'	1554	1448	8.84
8	A'	1541	1436	5.22
9	A'	1483	1382	6.08
10	A'	1472	1371	0.83
11	A'	1402	1306	1.02
12	A'	1196	1114	35.00
13	A'	1126	1049	25.45
14	A'	1047	976	5.73
15	A'	955	889	14.17
16	A'	702	654	17.18
17	A'	450	419	5.39
18	A'	358	334	0.22
19	A'	279	260	0.45
20	A"	3211	2991	10.57
21	A"	3194	2975	16.47
22	A"	1534	1429	10.93
23	A"	1523	1419	2.39
24	A"	1096	1021	3.62
25	A"	1080	1007	0.10
26	A"	855	796	18.36
27	A"	405	377	3.82
28	A"	229	213	0.57
29	A"	146	136	0.50
30	A"	95	88	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	-2.151	-1.169	0.000
H2	-2.688	-0.225	0.000
H3	-2.462	-1.735	0.878
H4	-2.462	-1.735	-0.878
C5	0.000	0.170	0.000
H6	-0.080	-1.905	0.000
C7	-0.660	-0.991	0.000
H8	-0.210	2.103	0.879
H9	-0.210	2.103	-0.879
C10	-0.554	1.562	0.000
Cl11	1.761	0.142	0.000
H12	-1.640	1.550	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.0858	1.0896	1.0896	2.5339	2.1979	1.5021	3.9049	3.9049	3.1635	4.1266	2.7670
H2	1.0858		1.7611	1.7611	2.7165	3.1017	2.1679	3.5117	3.5117	2.7829	4.4641	2.0615
H3	1.0896	1.7611		1.7553	3.2342	2.5438	2.1380	4.4499	4.7842	3.9088	4.7043	3.4985
H4	1.0896	1.7611	1.7553		3.2342	2.5438	2.1380	4.7842	4.4499	3.9088	4.7043	3.4985
C5	2.5339	2.7165	3.2342	3.2342		2.0764	1.3355	2.1339	2.1339	1.4980	1.7615	2.1434
H6	2.1979	3.1017	2.5438	2.5438	2.0764		1.0819	4.1053	4.1053	3.4989	2.7539	3.7908
C7	1.5021	2.1679	2.1380	2.1380	1.3355	1.0819		3.2480	3.2480	2.5552	2.6734	2.7239
H8	3.9049	3.5117	4.4499	4.7842	2.1339	4.1053	3.2480		1.7585	1.0884	2.9157	1.7672
H9	3.9049	3.5117	4.7842	4.4499	2.1339	4.1053	3.2480	1.7585		1.0884	2.9157	1.7672
C10	3.1635	2.7829	3.9088	3.9088	1.4980	3.4989	2.5552	1.0884	1.0884		2.7156	1.0857
Cl11	4.1266	4.4641	4.7043	4.7043	1.7615	2.7539	2.6734	2.9157	2.9157	2.7156		3.6808
H12	2.7670	2.0615	3.4985	3.4985	2.1434	3.7908	2.7239	1.7672	1.7672	1.0857	3.6808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	126.397	C1	C7	H6	115.585
H2	C1	H3	108.112	H2	C1	H4	108.112
H2	C1	C7	112.809	H3	C1	H4	107.322
H3	C1	C7	110.152	H4	C1	C7	110.152
C5	C7	H6	118.017	C5	C10	H8	110.186
C5	C10	H9	110.186	C5	C10	H12	111.104
C7	C5	C10	128.690	C7	C5	Cl11	118.714
H8	C10	H9	107.775	H8	C10	H12	108.753
H9	C10	H12	108.753	C10	C5	Cl11	112.597

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

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

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: MP3=FULL/6-31+G**

States and conformations

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