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	hartrees
Energy at 0K	-614.776430
Energy at 298.15K	-614.783405
Nuclear repulsion energy	201.620004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3140	3081	9.33
2	A	3097	3039	6.21
3	A	3085	3027	17.36
4	A	3074	3017	19.60
5	A	3015	2959	10.47
6	A	2993	2937	21.80
7	A	2965	2909	18.71
8	A	1698	1667	25.35
9	A	1468	1441	8.53
10	A	1457	1430	10.45
11	A	1436	1409	5.16
12	A	1371	1346	5.23
13	A	1320	1295	0.74
14	A	1270	1246	12.14
15	A	1255	1231	4.23
16	A	1209	1187	5.53
17	A	1136	1114	0.17
18	A	1072	1052	4.00
19	A	1038	1019	11.54
20	A	927	910	43.92
21	A	910	893	16.36
22	A	844	828	54.59
23	A	787	773	3.95
24	A	747	733	4.76
25	A	433	425	1.56
26	A	377	370	2.86
27	A	294	289	0.24
28	A	202	198	0.15
29	A	166	163	0.34
30	A	100	98	0.20

Atom	x (Å)	y (Å)	z (Å)
H1	0.295	-0.875	1.095
C2	0.410	-0.017	0.415
H3	-0.618	1.301	-0.917
Cl4	-2.247	-0.192	-0.030
C5	-0.660	0.455	-0.220
H6	1.734	1.404	-0.458
H7	2.143	0.933	1.200
C8	1.774	0.539	0.231
H9	3.767	-0.088	-0.383
H10	2.805	-1.369	0.397
H11	2.436	-0.881	-1.274
C12	2.750	-0.503	-0.286

	H1	C2	H3	Cl4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.0997	3.1001	2.8625	2.0999	3.1097	2.5865	2.2202	3.8542	2.6512	3.1922	2.8403
C2	1.0997		2.1371	2.6997	1.3308	2.1296	2.1260	1.4846	3.4515	2.7502	2.7755	2.4904
H3	3.1001	2.1371		2.3813	1.0959	2.3984	3.4977	2.7602	4.6301	4.5350	3.7696	3.8715
Cl4	2.8625	2.6997	2.3813		1.7253	4.3106	4.6954	4.0954	6.0255	5.2047	4.8942	5.0130
C5	2.0999	1.3308	1.0959	1.7253		2.5855	3.1774	2.4764	4.4627	3.9637	3.5322	3.5418
H6	3.1097	2.1296	2.3984	4.3106	2.5855		1.7707	1.1066	2.5227	3.0929	2.5253	2.1670
H7	2.5865	2.1260	3.4977	4.6954	3.1774	1.7707		1.1088	2.4871	2.5265	3.0808	2.1531
C8	2.2202	1.4846	2.7602	4.0954	2.4764	1.1066	1.1088		2.1776	2.1749	2.1717	1.5177
H9	3.8542	3.4515	4.6301	6.0255	4.4627	2.5227	2.4871	2.1776		1.7821	1.7868	1.1030
H10	2.6512	2.7502	4.5350	5.2047	3.9637	3.0929	2.5265	2.1749	1.7821		1.7788	1.1044
H11	3.1922	2.7755	3.7696	4.8942	3.5322	2.5253	3.0808	2.1717	1.7868	1.7788		1.1030
C12	2.8403	2.4904	3.8715	5.0130	3.5418	2.1670	2.1531	1.5177	1.1030	1.1044	1.1030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C5	119.227	H1	C2	C8	117.664
C2	C5	H3	123.153	C2	C5	Cl4	123.592
C2	C8	H6	109.687	C2	C8	H7	109.275
C2	C8	C12	112.089	H3	C5	Cl4	113.255
C5	C2	C8	123.093	H6	C8	H7	106.123
H6	C8	C12	110.349	H7	C8	C12	109.133
C8	C12	H9	111.405	C8	C12	H10	111.102
C8	C12	H11	110.935	H9	C12	H10	107.668
H9	C12	H11	108.186	H10	C12	H11	107.376

All results from a given calculation for CHClCHCH₂CH₃ ((E)-1-Chloro-1-butene)

using model chemistry: LSDA/6-31G*

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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Number	Element	Mulliken
1	H	0.170
2	C	-0.037
3	H	0.201
4	Cl	-0.006
5	C	-0.322
6	H	0.173
7	H	0.185
8	C	-0.376
9	H	0.180
10	H	0.179
11	H	0.188
12	C	-0.535

	x	y	z	Total
	1.920	0.454	-0.040	1.973
CHELPG
AIM
ESP

	x	y	z
x	12.083	0.276	0.660
y	0.276	6.317	-0.799
z	0.660	-0.799	5.925

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHClCHCH2CH3 ((E)-1-Chloro-1-butene)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for CHClCHCH₂CH₃ ((E)-1-Chloro-1-butene)