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	hartrees
Energy at 0K	-611.741052
Energy at 298.15K	-611.747916
Nuclear repulsion energy	209.650640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3115	3064	2.38
2	A'	3073	3022	7.05
3	A'	3070	3020	9.14
4	A'	2984	2935	4.51
5	A'	2976	2927	12.51
6	A'	1748	1720	19.47
7	A'	1493	1469	18.52
8	A'	1475	1451	10.31
9	A'	1410	1387	27.35
10	A'	1392	1369	9.51
11	A'	1341	1319	5.92
12	A'	1143	1124	37.91
13	A'	1080	1062	53.65
14	A'	1018	1001	17.60
15	A'	920	905	11.97
16	A'	660	650	26.26
17	A'	429	422	13.67
18	A'	336	330	0.36
19	A'	266	261	0.73
20	A"	3050	3000	2.17
21	A"	3034	2984	5.96
22	A"	1484	1460	15.59
23	A"	1468	1444	11.86
24	A"	1060	1043	0.49
25	A"	1052	1035	1.79
26	A"	837	824	37.56
27	A"	426	419	7.00
28	A"	231	227	0.50
29	A"	195	192	0.20
30	A"	145	142	1.71

Atom	x (Å)	y (Å)	z (Å)
C1	-2.368	-0.615	0.000
H2	-2.647	0.452	0.000
H3	-2.824	-1.089	0.890
H4	-2.824	-1.089	-0.890
C5	0.000	0.175	0.000
H6	-0.524	-1.841	0.000
C7	-0.892	-0.808	0.000
H8	0.289	2.090	0.892
H9	0.289	2.090	-0.892
C10	-0.183	1.638	0.000
Cl11	1.774	-0.285	0.000
H12	-1.257	1.895	0.000

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	Cl11	H12
C1		1.1033	1.1067	1.1067	2.4963	2.2144	1.4888	3.8950	3.8950	3.1381	4.1547	2.7453
H2	1.1033		1.7883	1.7883	2.6619	3.1255	2.1612	3.4786	3.4786	2.7345	4.4823	2.0041
H3	1.1067	1.7883		1.7803	3.2195	2.5787	2.1461	4.4491	4.7926	3.8985	4.7515	3.4861
H4	1.1067	1.7883	1.7803		3.2195	2.5787	2.1461	4.7926	4.4491	3.8985	4.7515	3.4861
C5	2.4963	2.6619	3.2195	3.2195		2.0832	1.3271	2.1317	2.1317	1.4738	1.8326	2.1303
H6	2.2144	3.1255	2.5787	2.5787	2.0832		1.0968	4.1118	4.1118	3.4952	2.7744	3.8075
C7	1.4888	2.1612	2.1461	2.1461	1.3271	1.0968		3.2535	3.2535	2.5459	2.7159	2.7276
H8	3.8950	3.4786	4.4491	4.7926	2.1317	4.1118	3.2535		1.7832	1.1057	2.9397	1.7952
H9	3.8950	3.4786	4.7926	4.4491	2.1317	4.1118	3.2535	1.7832		1.1057	2.9397	1.7952
C10	3.1381	2.7345	3.8985	3.8985	1.4738	3.4952	2.5459	1.1057	1.1057		2.7438	1.1041
Cl11	4.1547	4.4823	4.7515	4.7515	1.8326	2.7744	2.7159	2.9397	2.9397	2.7438		3.7338
H12	2.7453	2.0041	3.4861	3.4861	2.1303	3.8075	2.7276	1.7952	1.7952	1.1041	3.7338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C7	C5	124.772	C1	C7	H6	117.029
H2	C1	H3	108.029	H2	C1	H4	108.029
H2	C1	C7	112.113	H3	C1	H4	107.099
H3	C1	C7	110.691	H4	C1	C7	110.691
C5	C7	H6	118.199	C5	C10	H8	110.655
C5	C10	H9	110.655	C5	C10	H12	110.640
C7	C5	C10	130.652	C7	C5	Cl11	117.638
H8	C10	H9	107.483	H8	C10	H12	108.658
H9	C10	H12	108.658	C10	C5	Cl11	111.710

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.689
2	H	0.223
3	H	0.241
4	H	0.241
5	C	-0.232
6	H	0.231
7	C	-0.138
8	H	0.255
9	H	0.255
10	C	-0.667
11	Cl	0.048
12	H	0.233

	x	y	z	Total
	-2.504	0.701	0.000	2.600
CHELPG
AIM
ESP

	x	y	z
x	10.445	0.904	0.000
y	0.904	7.616	0.000
z	0.000	0.000	4.270

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G

States and conformations

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