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	hartrees
Energy at 0K	-40.701026
Energy at 298.15K	-40.708338
Nuclear repulsion energy	88.463948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3391	3064	14.33
2	A	3334	3012	12.49
3	A	3260	2945	76.03
4	A	3251	2937	77.80
5	A	3228	2916	4.60
6	A	3190	2882	34.90
7	A	3179	2872	54.33
8	A	1824	1648	25.91
9	A	1636	1478	4.85
10	A	1627	1470	5.48
11	A	1617	1461	2.56
12	A	1547	1398	0.99
13	A	1482	1339	5.16
14	A	1424	1286	14.18
15	A	1405	1269	8.04
16	A	1355	1224	12.25
17	A	1224	1105	1.27
18	A	1188	1073	5.64
19	A	1097	991	8.32
20	A	1068	965	55.68
21	A	966	872	0.59
22	A	900	813	15.49
23	A	889	803	52.70
24	A	815	736	11.02
25	A	470	424	2.68
26	A	400	361	3.77
27	A	308	278	0.37
28	A	212	191	0.26
29	A	176	159	0.38
30	A	107	97	0.14

Atom	x (Å)	y (Å)	z (Å)
H1	-0.170	-0.965	1.009
C2	-0.071	-0.078	0.402
H3	-1.137	1.286	-0.828
Cl4	-2.728	-0.316	-0.066
C5	-1.139	0.410	-0.205
H6	1.260	1.437	-0.321
H7	1.637	0.841	1.278
C8	1.308	0.536	0.286
H9	3.320	0.010	-0.351
H10	2.409	-1.348	0.294
H11	2.052	-0.740	-1.316
C12	2.334	-0.446	-0.309

	H1	C2	H3	Cl4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.0797	3.0618	2.8497	2.0743	3.0952	2.5691	2.2273	3.8703	2.7033	3.2244	2.8766
C2	1.0797		2.1227	2.7080	1.3209	2.1418	2.1290	1.5144	3.4750	2.7884	2.8103	2.5345
H3	3.0618	2.1227		2.3830	1.0746	2.4541	3.5113	2.7893	4.6603	4.5567	3.8087	3.9127
Cl4	2.8497	2.7080	2.3830		1.7531	4.3634	4.7120	4.1402	6.0635	5.2517	4.9588	5.0691
C5	2.0743	1.3209	1.0746	1.7531		2.6112	3.1765	2.4986	4.4790	3.9904	3.5690	3.5776
H6	3.0952	2.1418	2.4541	4.3634	2.6112		1.7479	1.0870	2.5064	3.0742	2.5207	2.1670
H7	2.5691	2.1290	3.5113	4.7120	3.1765	1.7479		1.0889	2.4856	2.5210	3.0666	2.1588
C8	2.2273	1.5144	2.7893	4.1402	2.4986	1.0870	1.0889		2.1751	2.1820	2.1794	1.5395
H9	3.8703	3.4750	4.6603	6.0635	4.4790	2.5064	2.4856	2.1751		1.7575	1.7611	1.0872
H10	2.7033	2.7884	4.5567	5.2517	3.9904	3.0742	2.5210	2.1820	1.7575		1.7582	1.0877
H11	3.2244	2.8103	3.8087	4.9588	3.5690	2.5207	3.0666	2.1794	1.7611	1.7582		1.0867
C12	2.8766	2.5345	3.9127	5.0691	3.5776	2.1670	2.1588	1.5395	1.0872	1.0877	1.0867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C5	119.221	H1	C2	C8	117.335
C2	C5	H3	124.463	C2	C5	Cl4	122.893
C2	C8	H6	109.747	C2	C8	H7	108.630
C2	C8	C12	112.181	H3	C5	Cl4	112.644
C5	C2	C8	123.442	H6	C8	H7	106.893
H6	C8	C12	109.998	H7	C8	C12	109.239
C8	C12	H9	110.627	C8	C12	H10	111.144
C8	C12	H11	110.994	H9	C12	H10	107.814
H9	C12	H11	108.218	H10	C12	H11	107.916

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

using model chemistry: HF/CEP-121G*

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	0.225
2	C	-0.064
3	H	0.239
4	Cl	-0.163
5	C	-0.253
6	H	0.170
7	H	0.162
8	C	-0.303
9	H	0.174
10	H	0.157
11	H	0.163
12	C	-0.507

	x	y	z	Total
	2.309	0.655	0.020	2.400
CHELPG
AIM
ESP

	x	y	z
x	11.717	0.114	0.835
y	0.114	6.746	-0.592
z	0.835	-0.592	6.342

<r²>	155.035
(<r²>)^1/2	12.451

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

using model chemistry: HF/CEP-121G*

States and conformations

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