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	hartrees
Energy at 0K	-614.715102
Energy at 298.15K	-614.722097
Nuclear repulsion energy	199.222807

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3184	3119	6.64
2	A	3109	3045	5.88
3	A	3091	3028	20.84
4	A	3080	3017	23.40
5	A	3018	2957	10.32
6	A	2989	2929	24.32
7	A	2965	2904	20.27
8	A	1704	1670	26.32
9	A	1487	1457	12.66
10	A	1477	1447	13.28
11	A	1462	1433	8.04
12	A	1397	1369	9.86
13	A	1332	1305	0.83
14	A	1280	1254	6.82
15	A	1270	1244	10.01
16	A	1225	1200	8.23
17	A	1149	1126	0.87
18	A	1086	1064	2.70
19	A	1059	1037	10.86
20	A	941	922	61.74
21	A	923	904	12.09
22	A	825	808	26.49
23	A	803	787	28.51
24	A	749	734	23.13
25	A	432	423	1.49
26	A	374	367	4.86
27	A	287	282	0.24
28	A	199	195	0.18
29	A	162	159	0.42
30	A	99	97	0.22

Atom	x (Å)	y (Å)	z (Å)
H1	0.309	-0.882	1.074
C2	0.425	-0.015	0.407
H3	-0.621	1.331	-0.910
Cl4	-2.287	-0.197	-0.027
C5	-0.636	0.480	-0.224
H6	1.773	1.408	-0.445
H7	2.164	0.918	1.213
C8	1.800	0.536	0.236
H9	3.795	-0.102	-0.372
H10	2.817	-1.386	0.388
H11	2.464	-0.875	-1.281
C12	2.774	-0.511	-0.286

	H1	C2	H3	Cl4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.0995	3.1130	2.9014	2.1045	3.1135	2.5880	2.2209	3.8538	2.6486	3.1922	2.8398
C2	1.0995		2.1537	2.7527	1.3298	2.1374	2.1310	1.4905	3.4597	2.7569	2.7833	2.4989
H3	3.1130	2.1537		2.4263	1.0927	2.4400	3.5256	2.7937	4.6734	4.5697	3.8104	3.9124
Cl4	2.9014	2.7527	2.4263		1.7953	4.3857	4.7528	4.1601	6.0923	5.2569	4.9599	5.0772
C5	2.1045	1.3298	1.0927	1.7953		2.5909	3.1768	2.4791	4.4711	3.9719	3.5442	3.5514
H6	3.1135	2.1374	2.4400	4.3857	2.5909		1.7724	1.1074	2.5244	3.0968	2.5276	2.1706
H7	2.5880	2.1310	3.5256	4.7528	3.1768	1.7724		1.1097	2.4920	2.5323	3.0859	2.1591
C8	2.2209	1.4905	2.7937	4.1601	2.4791	1.1074	1.1097		2.1812	2.1795	2.1759	1.5229
H9	3.8538	3.4597	4.6734	6.0923	4.4711	2.5244	2.4920	2.1812		1.7842	1.7879	1.1034
H10	2.6486	2.7569	4.5697	5.2569	3.9719	3.0968	2.5323	2.1795	1.7842		1.7811	1.1052
H11	3.1922	2.7833	3.8104	4.9599	3.5442	2.5276	3.0859	2.1759	1.7879	1.7811		1.1037
C12	2.8398	2.4989	3.9124	5.0772	3.5514	2.1706	2.1591	1.5229	1.1034	1.1052	1.1037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C5	119.762	H1	C2	C8	117.280
C2	C5	H3	125.220	C2	C5	Cl4	122.786
C2	C8	H6	109.843	C2	C8	H7	109.209
C2	C8	C12	112.045	H3	C5	Cl4	111.994
C5	C2	C8	122.946	H6	C8	H7	106.149
H6	C8	C12	110.226	H7	C8	C12	109.188
C8	C12	H9	111.299	C8	C12	H10	111.061
C8	C12	H11	110.865	H9	C12	H10	107.769
H9	C12	H11	108.211	H10	C12	H11	107.481

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	H	0.175
2	C	-0.003
3	H	0.203
4	Cl	0.047
5	C	-0.422
6	H	0.170
7	H	0.185
8	C	-0.378
9	H	0.172
10	H	0.171
11	H	0.180
12	C	-0.501

	x	y	z	Total
	2.414	0.561	-0.038	2.479
CHELPG
AIM
ESP

	x	y	z
x	11.912	0.360	0.668
y	0.360	6.029	-0.871
z	0.668	-0.871	5.553

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G

States and conformations

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