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	hartrees
Energy at 0K	-612.565596
Energy at 298.15K	-612.572451
HF Energy	-612.067467
Nuclear repulsion energy	209.422278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3043	11.28
2	A'	3185	3030	8.90
3	A'	3169	3015	11.62
4	A'	3092	2942	6.75
5	A'	3082	2932	15.68
6	A'	1713	1630	12.77
7	A'	1596	1518	10.93
8	A'	1590	1512	6.18
9	A'	1503	1430	7.39
10	A'	1484	1412	0.92
11	A'	1419	1350	1.96
12	A'	1188	1130	50.36
13	A'	1117	1062	6.40
14	A'	1025	975	9.38
15	A'	910	866	16.54
16	A'	673	641	17.69
17	A'	440	419	9.28
18	A'	356	339	0.38
19	A'	280	267	0.45
20	A"	3156	3002	8.17
21	A"	3138	2985	13.99
22	A"	1590	1512	9.91
23	A"	1579	1502	4.92
24	A"	1135	1080	0.00
25	A"	1127	1072	0.01
26	A"	873	831	27.15
27	A"	436	414	4.20
28	A"	233	221	0.37
29	A"	157	150	0.23
30	A"	104	99	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	-2.204	-1.117	0.000
H2	-2.704	-0.145	0.000
H3	-2.532	-1.672	0.886
H4	-2.532	-1.672	-0.886
C5	0.000	0.169	0.000
H6	-0.133	-1.915	0.000
C7	-0.690	-0.980	0.000
H8	-0.156	2.124	0.888
H9	-0.156	2.124	-0.888
C10	-0.517	1.593	0.000
Cl11	1.782	0.092	0.000
H12	-1.610	1.605	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.0931	1.0966	1.0966	2.5518	2.2196	1.5203	3.9348	3.9348	3.1918	4.1648	2.7857
H2	1.0931		1.7747	1.7747	2.7222	3.1216	2.1807	3.5250	3.5250	2.7934	4.4919	2.0637
H3	1.0966	1.7747		1.7729	3.2543	2.5693	2.1585	4.4786	4.8172	3.9382	4.7442	3.5183
H4	1.0966	1.7747	1.7729		3.2543	2.5693	2.1585	4.8172	4.4786	3.9382	4.7442	3.5183
C5	2.5518	2.7222	3.2543	3.2543		2.0886	1.3409	2.1522	2.1522	1.5140	1.7833	2.1567
H6	2.2196	3.1216	2.5693	2.5693	2.0886		1.0879	4.1352	4.1352	3.5285	2.7735	3.8171
C7	1.5203	2.1807	2.1585	2.1585	1.3409	1.0879		3.2724	3.2724	2.5788	2.6940	2.7440
H8	3.9348	3.5250	4.4786	4.8172	2.1522	4.1352	3.2724		1.7751	1.0954	2.9449	1.7803
H9	3.9348	3.5250	4.8172	4.4786	2.1522	4.1352	3.2724	1.7751		1.0954	2.9449	1.7803
C10	3.1918	2.7934	3.9382	3.9382	1.5140	3.5285	2.5788	1.0954	1.0954		2.7449	1.0931
Cl11	4.1648	4.4919	4.7442	4.7442	1.7833	2.7735	2.6940	2.9449	2.9449	2.7449		3.7135
H12	2.7857	2.0637	3.5183	3.5183	2.1567	3.8171	2.7440	1.7803	1.7803	1.0931	3.7135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	126.107	C1	C7	H6	115.648
H2	C1	H3	108.291	H2	C1	H4	108.291
H2	C1	C7	112.079	H3	C1	H4	107.876
H3	C1	C7	110.092	H4	C1	C7	110.092
C5	C7	H6	118.245	C5	C10	H8	110.097
C5	C10	H9	110.097	C5	C10	H12	110.598
C7	C5	C10	129.084	C7	C5	Cl11	118.466
H8	C10	H9	108.241	H8	C10	H12	108.878
H9	C10	H12	108.878	C10	C5	Cl11	112.449

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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