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	hartrees
Energy at 0K	-615.589305
Energy at 298.15K	-615.596553
HF Energy	-615.007963
Nuclear repulsion energy	201.533512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3346	3091	9.79
2	A	3289	3038	6.95
3	A	3245	2997	33.51
4	A	3238	2991	35.47
5	A	3198	2954	10.44
6	A	3161	2920	24.61
7	A	3154	2913	27.35
8	A	1820	1681	22.79
9	A	1600	1478	5.76
10	A	1592	1471	6.54
11	A	1582	1461	2.79
12	A	1511	1396	2.21
13	A	1449	1338	1.90
14	A	1398	1292	12.15
15	A	1377	1272	6.82
16	A	1333	1232	5.64
17	A	1210	1117	1.21
18	A	1162	1074	2.56
19	A	1101	1017	8.31
20	A	1033	955	45.72
21	A	963	890	2.76
22	A	894	826	47.40
23	A	870	804	5.08
24	A	805	743	5.99
25	A	466	430	1.59
26	A	398	368	2.88
27	A	308	284	0.29
28	A	212	196	0.23
29	A	175	161	0.33
30	A	102	94	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	0.282	-0.824	1.113
C2	0.400	-0.005	0.415
H3	-0.619	1.261	-0.946
Cl4	-2.253	-0.193	-0.026
C5	-0.656	0.451	-0.235
H6	1.753	1.387	-0.465
H7	2.140	0.940	1.182
C8	1.783	0.546	0.228
H9	3.762	-0.099	-0.383
H10	2.817	-1.355	0.411
H11	2.447	-0.896	-1.249
C12	2.760	-0.513	-0.279

	H1	C2	H3	Cl4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.0832	3.0653	2.8492	2.0791	3.0894	2.5629	2.2164	3.8569	2.6837	3.2045	2.8593
C2	1.0832		2.1188	2.6955	1.3209	2.1311	2.1232	1.5000	3.4567	2.7690	2.7842	2.5123
H3	3.0653	2.1188		2.3731	1.0782	2.4233	3.4986	2.7669	4.6212	4.5265	3.7605	3.8744
Cl4	2.8492	2.6955	2.3731		1.7343	4.3287	4.6944	4.1104	6.0261	5.2195	4.9066	5.0296
C5	2.0791	1.3209	1.0782	1.7343		2.5951	3.1725	2.4844	4.4549	3.9679	3.5317	3.5505
H6	3.0894	2.1311	2.4233	4.3287	2.5951		1.7501	1.0905	2.5001	3.0693	2.5117	2.1591
H7	2.5629	2.1232	3.4986	4.6944	3.1725	1.7501		1.0922	2.4820	2.5143	3.0617	2.1520
C8	2.2164	1.5000	2.7669	4.1104	2.4844	1.0905	1.0922		2.1695	2.1721	2.1683	1.5280
H9	3.8569	3.4567	4.6212	6.0261	4.4549	2.5001	2.4820	2.1695		1.7613	1.7649	1.0891
H10	2.6837	2.7690	4.5265	5.2195	3.9679	3.0693	2.5143	2.1721	1.7613		1.7612	1.0897
H11	3.2045	2.7842	3.7605	4.9066	3.5317	2.5117	3.0617	2.1683	1.7649	1.7612		1.0889
C12	2.8593	2.5123	3.8744	5.0296	3.5505	2.1591	2.1520	1.5280	1.0891	1.0897	1.0889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C5	119.391	H1	C2	C8	117.276
C2	C5	H3	123.732	C2	C5	Cl4	123.269
C2	C8	H6	109.698	C2	C8	H7	108.974
C2	C8	C12	112.131	H3	C5	Cl4	112.999
C5	C2	C8	123.329	H6	C8	H7	106.610
H6	C8	C12	109.961	H7	C8	C12	109.306
C8	C12	H9	110.873	C8	C12	H10	111.042
C8	C12	H11	110.787	H9	C12	H10	107.876
H9	C12	H11	108.254	H10	C12	H11	107.884

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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