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	hartrees
Energy at 0K	-615.682556
Energy at 298.15K	-615.689705
HF Energy	-615.007097
Nuclear repulsion energy	201.214509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3271	3082	9.13
2	A	3221	3034	6.16
3	A	3204	3019	24.61
4	A	3197	3012	25.34
5	A	3147	2965	11.42
6	A	3108	2929	23.17
7	A	3096	2917	21.08
8	A	1720	1621	27.81
9	A	1569	1478	5.65
10	A	1563	1473	7.01
11	A	1548	1458	3.21
12	A	1470	1385	2.33
13	A	1402	1321	1.17
14	A	1358	1280	13.23
15	A	1339	1261	3.80
16	A	1299	1224	5.10
17	A	1182	1114	1.47
18	A	1129	1063	1.60
19	A	1080	1018	9.12
20	A	984	927	45.74
21	A	945	890	4.46
22	A	877	826	46.01
23	A	817	770	3.64
24	A	781	736	3.84
25	A	455	429	1.45
26	A	389	366	2.50
27	A	305	287	0.25
28	A	210	198	0.21
29	A	172	162	0.28
30	A	99	93	0.13

Atom	x (Å)	y (Å)	z (Å)
H1	0.283	-0.793	1.163
C2	0.406	0.007	0.435
H3	-0.607	1.234	-0.985
Cl4	-2.252	-0.193	-0.025
C5	-0.656	0.444	-0.244
H6	1.748	1.384	-0.487
H7	2.161	0.962	1.169
C8	1.786	0.551	0.224
H9	3.758	-0.115	-0.408
H10	2.810	-1.356	0.423
H11	2.416	-0.918	-1.244
C12	2.751	-0.522	-0.281

	H1	C2	H3	Cl4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.0889	3.0847	2.8637	2.0953	3.1004	2.5710	2.2246	3.8732	2.6928	3.2185	2.8723
C2	1.0889		2.1328	2.7058	1.3342	2.1326	2.1286	1.4979	3.4579	2.7636	2.7771	2.5079
H3	3.0847	2.1328		2.3795	1.0845	2.4122	3.5183	2.7664	4.6054	4.5137	3.7202	3.8545
Cl4	2.8637	2.7058	2.3795		1.7324	4.3250	4.7161	4.1137	6.0230	5.2141	4.8794	5.0207
C5	2.0953	1.3342	1.0845	1.7324		2.5931	3.1941	2.4885	4.4523	3.9625	3.5062	3.5415
H6	3.1004	2.1326	2.4122	4.3250	2.5931		1.7585	1.0957	2.5089	3.0773	2.5135	2.1641
H7	2.5710	2.1286	3.5183	4.7161	3.1941	1.7585		1.0969	2.4890	2.5205	3.0690	2.1573
C8	2.2246	1.4979	2.7664	4.1137	2.4885	1.0957	1.0969		2.1755	2.1748	2.1700	1.5295
H9	3.8732	3.4579	4.6054	6.0230	4.4523	2.5089	2.4890	2.1755		1.7689	1.7726	1.0935
H10	2.6928	2.7636	4.5137	5.2141	3.9625	3.0773	2.5205	2.1748	1.7689		1.7682	1.0936
H11	3.2185	2.7771	3.7202	4.8794	3.5062	2.5135	3.0690	2.1700	1.7726	1.7682		1.0928
C12	2.8723	2.5079	3.8545	5.0207	3.5415	2.1641	2.1573	1.5295	1.0935	1.0936	1.0928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C5	119.362	H1	C2	C8	117.766
C2	C5	H3	123.392	C2	C5	Cl4	123.331
C2	C8	H6	109.646	C2	C8	H7	109.263
C2	C8	C12	111.866	H3	C5	Cl4	113.277
C5	C2	C8	122.861	H6	C8	H7	106.640
H6	C8	C12	109.943	H7	C8	C12	109.341
C8	C12	H9	110.978	C8	C12	H10	110.918
C8	C12	H11	110.581	H9	C12	H10	107.959
H9	C12	H11	108.344	H10	C12	H11	107.947

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CHClCHCH2CH3 ((E)-1-Chloro-1-butene)

using model chemistry: MP2=FULL/6-31G*

States and conformations

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