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	hartrees
Energy at 0K	-41.307024
Energy at 298.15K	-41.313764
HF Energy	-40.685974
Nuclear repulsion energy	90.107413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3059	31.22
2	A'	3213	3051	5.30
3	A'	3201	3039	14.10
4	A'	3098	2941	17.13
5	A'	3088	2932	33.39
6	A'	1735	1648	12.75
7	A'	1522	1445	10.59
8	A'	1509	1433	5.73
9	A'	1453	1379	5.56
10	A'	1444	1371	2.59
11	A'	1358	1289	2.33
12	A'	1176	1117	34.67
13	A'	1110	1054	36.19
14	A'	1031	978	7.29
15	A'	940	893	14.67
16	A'	687	652	19.87
17	A'	435	413	5.38
18	A'	346	329	0.26
19	A'	270	257	0.40
20	A"	3185	3024	16.31
21	A"	3165	3005	23.74
22	A"	1508	1431	14.62
23	A"	1495	1419	2.99
24	A"	1081	1026	1.01
25	A"	1065	1011	0.09
26	A"	838	795	32.84
27	A"	408	387	5.02
28	A"	226	215	0.67
29	A"	153	145	0.57
30	A"	106	101	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	-2.152	-1.229	0.000
H2	-2.705	-0.277	0.000
H3	-2.460	-1.807	0.891
H4	-2.460	-1.807	-0.891
C5	0.000	0.178	0.000
H6	-0.025	-1.936	0.000
C7	-0.644	-1.032	0.000
H8	-0.244	2.131	0.893
H9	-0.244	2.131	-0.893
C10	-0.588	1.580	0.000
Cl11	1.772	0.178	0.000
H12	-1.688	1.547	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.1007	1.1058	1.1058	2.5716	2.2422	1.5213	3.9661	3.9661	3.2149	4.1695	2.8142
H2	1.1007		1.7876	1.7876	2.7433	3.1524	2.1953	3.5576	3.5576	2.8163	4.5008	2.0883
H3	1.1058	1.7876		1.7812	3.2848	2.5964	2.1664	4.5197	4.8587	3.9715	4.7594	3.5554
H4	1.1058	1.7876	1.7812		3.2848	2.5964	2.1664	4.8587	4.5197	3.9715	4.7594	3.5554
C5	2.5716	2.7433	3.2848	3.2848		2.1147	1.3711	2.1611	2.1611	1.5196	1.7724	2.1732
H6	2.2422	3.1524	2.5964	2.5964	2.1147		1.0958	4.1701	4.1701	3.5607	2.7751	3.8599
C7	1.5213	2.1953	2.1664	2.1664	1.3711	1.0958		3.3112	3.3112	2.6124	2.7026	2.7824
H8	3.9661	3.5576	4.5197	4.8587	2.1611	4.1701	3.3112		1.7851	1.1042	2.9455	1.7958
H9	3.9661	3.5576	4.8587	4.5197	2.1611	4.1701	3.3112	1.7851		1.1042	2.9455	1.7958
C10	3.2149	2.8163	3.9715	3.9715	1.5196	3.5607	2.6124	1.1042	1.1042		2.7449	1.1009
Cl11	4.1695	4.5008	4.7594	4.7594	1.7724	2.7751	2.7026	2.9455	2.9455	2.7449		3.7215
H12	2.8142	2.0883	3.5554	3.5554	2.1732	3.8599	2.7824	1.7958	1.7958	1.1009	3.7215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	125.441	C1	C7	H6	116.975
H2	C1	H3	108.222	H2	C1	H4	108.222
H2	C1	C7	112.723	H3	C1	H4	107.291
H3	C1	C7	110.104	H4	C1	C7	110.104
C5	C7	H6	117.584	C5	C10	H8	109.887
C5	C10	H9	109.887	C5	C10	H12	111.045
C7	C5	C10	129.233	C7	C5	Cl11	118.010
H8	C10	H9	107.863	H8	C10	H12	109.047
H9	C10	H12	109.047	C10	C5	Cl11	112.757

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

using model chemistry: MP2/CEP-31G*

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/CEP-31G*

States and conformations

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