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	hartrees
Energy at 0K	-615.726956
Energy at 298.15K	-615.734102
HF Energy	-615.007369
Nuclear repulsion energy	200.930763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3277	3075	9.00
2	A	3221	3022	6.93
3	A	3189	2992	29.00
4	A	3183	2986	30.11
5	A	3136	2943	11.49
6	A	3104	2913	23.46
7	A	3093	2902	22.75
8	A	1763	1655	24.38
9	A	1566	1470	6.34
10	A	1559	1463	6.95
11	A	1549	1453	2.67
12	A	1475	1384	2.56
13	A	1412	1325	1.27
14	A	1364	1280	11.81
15	A	1344	1261	5.37
16	A	1304	1224	4.86
17	A	1184	1111	1.09
18	A	1132	1062	2.00
19	A	1082	1015	7.80
20	A	989	928	45.15
21	A	945	887	3.43
22	A	875	821	43.61
23	A	827	776	3.75
24	A	783	735	4.57
25	A	455	427	1.39
26	A	389	365	2.56
27	A	302	283	0.28
28	A	208	195	0.23
29	A	170	160	0.31
30	A	97	91	0.12

Atom	x (Å)	y (Å)	z (Å)
H1	0.290	-0.835	1.117
C2	0.404	-0.007	0.418
H3	-0.626	1.271	-0.948
Cl4	-2.260	-0.194	-0.026
C5	-0.659	0.455	-0.235
H6	1.756	1.393	-0.463
H7	2.149	0.938	1.191
C8	1.789	0.546	0.231
H9	3.773	-0.095	-0.388
H10	2.824	-1.362	0.407
H11	2.449	-0.893	-1.258
C12	2.768	-0.514	-0.283

	H1	C2	H3	Cl4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.0895	3.0888	2.8676	2.0958	3.1005	2.5700	2.2225	3.8658	2.6835	3.2100	2.8638
C2	1.0895		2.1358	2.7075	1.3303	2.1371	2.1299	1.5033	3.4655	2.7733	2.7885	2.5169
H3	3.0888	2.1358		2.3806	1.0845	2.4342	3.5196	2.7838	4.6406	4.5465	3.7729	3.8916
Cl4	2.8676	2.7075	2.3806		1.7404	4.3409	4.7122	4.1246	6.0452	5.2347	4.9174	5.0446
C5	2.0958	1.3303	1.0845	1.7404		2.6012	3.1860	2.4937	4.4689	3.9803	3.5387	3.5612
H6	3.1005	2.1371	2.4342	4.3409	2.6012		1.7606	1.0960	2.5078	3.0800	2.5176	2.1659
H7	2.5700	2.1299	3.5196	4.7122	3.1860	1.7606		1.0974	2.4902	2.5217	3.0731	2.1597
C8	2.2225	1.5033	2.7838	4.1246	2.4937	1.0960	1.0974		2.1754	2.1776	2.1741	1.5316
H9	3.8658	3.4655	4.6406	6.0452	4.4689	2.5078	2.4902	2.1754		1.7711	1.7744	1.0943
H10	2.6835	2.7733	4.5465	5.2347	3.9803	3.0800	2.5217	2.1776	1.7711		1.7704	1.0947
H11	3.2100	2.7885	3.7729	4.9174	3.5387	2.5176	3.0731	2.1741	1.7744	1.7704		1.0940
C12	2.8638	2.5169	3.8916	5.0446	3.5612	2.1659	2.1597	1.5316	1.0943	1.0947	1.0940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C5	119.695	H1	C2	C8	117.114
C2	C5	H3	124.056	C2	C5	Cl4	123.153
C2	C8	H6	109.617	C2	C8	H7	108.965
C2	C8	C12	112.053	H3	C5	Cl4	112.791
C5	C2	C8	123.186	H6	C8	H7	106.776
H6	C8	C12	109.927	H7	C8	C12	109.357
C8	C12	H9	110.777	C8	C12	H10	110.924
C8	C12	H11	110.689	H9	C12	H10	108.010
H9	C12	H11	108.364	H10	C12	H11	107.969

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

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

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