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	hartrees
Energy at 0K	-615.698796
Energy at 298.15K	-615.705933
HF Energy	-615.007285
Nuclear repulsion energy	200.753887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3276	3075	8.96
2	A	3220	3022	6.92
3	A	3188	2992	29.22
4	A	3182	2986	30.35
5	A	3135	2943	11.61
6	A	3103	2913	23.57
7	A	3093	2903	22.89
8	A	1760	1652	24.59
9	A	1566	1470	6.23
10	A	1558	1463	6.87
11	A	1548	1453	2.61
12	A	1473	1383	2.45
13	A	1411	1324	1.35
14	A	1363	1280	11.83
15	A	1343	1260	5.52
16	A	1303	1223	5.00
17	A	1182	1110	1.09
18	A	1131	1061	2.00
19	A	1080	1014	7.75
20	A	986	925	45.20
21	A	944	886	3.38
22	A	874	821	43.91
23	A	823	772	3.96
24	A	781	733	4.42
25	A	454	426	1.42
26	A	389	365	2.59
27	A	301	282	0.28
28	A	207	194	0.23
29	A	170	159	0.31
30	A	97	91	0.12

Atom	x (Å)	y (Å)	z (Å)
H1	0.283	-0.824	1.130
C2	0.403	-0.004	0.424
H3	-0.617	1.261	-0.958
Cl4	-2.260	-0.193	-0.026
C5	-0.658	0.452	-0.238
H6	1.754	1.391	-0.470
H7	2.153	0.947	1.185
C8	1.789	0.548	0.230
H9	3.773	-0.099	-0.394
H10	2.826	-1.360	0.412
H11	2.444	-0.901	-1.254
C12	2.767	-0.516	-0.283

	H1	C2	H3	Cl4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.0890	3.0850	2.8641	2.0938	3.1032	2.5759	2.2270	3.8762	2.6962	3.2191	2.8741
C2	1.0890		2.1329	2.7074	1.3306	2.1378	2.1323	1.5043	3.4687	2.7767	2.7905	2.5198
H3	3.0850	2.1329		2.3833	1.0840	2.4245	3.5165	2.7765	4.6301	4.5388	3.7594	3.8814
Cl4	2.8641	2.7074	2.3833		1.7399	4.3381	4.7163	4.1241	6.0445	5.2364	4.9130	5.0438
C5	2.0938	1.3306	1.0840	1.7399		2.5988	3.1892	2.4930	4.4674	3.9802	3.5337	3.5593
H6	3.1032	2.1378	2.4245	4.3381	2.5988		1.7591	1.0963	2.5103	3.0816	2.5191	2.1674
H7	2.5759	2.1323	3.5165	4.7163	3.1892	1.7591		1.0976	2.4919	2.5244	3.0739	2.1610
C8	2.2270	1.5043	2.7765	4.1241	2.4930	1.0963	1.0976		2.1775	2.1790	2.1747	1.5329
H9	3.8762	3.4687	4.6301	6.0445	4.4674	2.5103	2.4919	2.1775		1.7708	1.7742	1.0942
H10	2.6962	2.7767	4.5388	5.2364	3.9802	3.0816	2.5244	2.1790	1.7708		1.7699	1.0948
H11	3.2191	2.7905	3.7594	4.9130	3.5337	2.5191	3.0739	2.1747	1.7742	1.7699		1.0940
C12	2.8741	2.5198	3.8814	5.0438	3.5593	2.1674	2.1610	1.5329	1.0942	1.0948	1.0940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C5	119.514	H1	C2	C8	117.463
C2	C5	H3	123.777	C2	C5	Cl4	123.150
C2	C8	H6	109.578	C2	C8	H7	109.071
C2	C8	C12	112.125	H3	C5	Cl4	113.072
C5	C2	C8	123.016	H6	C8	H7	106.611
H6	C8	C12	109.940	H7	C8	C12	109.358
C8	C12	H9	110.867	C8	C12	H10	110.943
C8	C12	H11	110.655	H9	C12	H10	107.987
H9	C12	H11	108.353	H10	C12	H11	107.924

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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