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	hartrees
Energy at 0K	-616.919508
Energy at 298.15K	-616.926577
HF Energy	-616.919508
Nuclear repulsion energy	200.630274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3197	3093	8.57
2	A	3147	3044	5.94
3	A	3096	2995	30.67
4	A	3090	2990	36.01
5	A	3051	2952	9.32
6	A	3028	2930	29.62
7	A	3008	2911	23.04
8	A	1686	1631	22.72
9	A	1506	1457	5.66
10	A	1498	1449	6.77
11	A	1484	1435	3.48
12	A	1413	1367	1.53
13	A	1358	1313	2.52
14	A	1319	1276	4.93
15	A	1301	1259	11.68
16	A	1254	1213	10.11
17	A	1140	1103	1.12
18	A	1094	1058	2.75
19	A	1029	995	8.65
20	A	968	936	41.86
21	A	909	879	2.84
22	A	832	805	22.18
23	A	814	788	33.26
24	A	759	735	14.72
25	A	441	427	2.07
26	A	376	364	3.69
27	A	289	279	0.28
28	A	199	193	0.17
29	A	165	160	0.24
30	A	102	99	0.15

Atom	x (Å)	y (Å)	z (Å)
H1	0.283	-0.838	1.097
C2	0.403	-0.008	0.410
H3	-0.628	1.276	-0.935
Cl4	-2.267	-0.195	-0.026
C5	-0.656	0.457	-0.232
H6	1.761	1.393	-0.453
H7	2.141	0.926	1.193
C8	1.787	0.542	0.231
H9	3.781	-0.089	-0.363
H10	2.831	-1.364	0.398
H11	2.484	-0.882	-1.261
C12	2.779	-0.510	-0.280

	H1	C2	H3	Cl4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.0845	3.0703	2.8594	2.0794	3.0925	2.5633	2.2175	3.8643	2.6941	3.2262	2.8697
C2	1.0845		2.1255	2.7114	1.3222	2.1331	2.1224	1.4999	3.4665	2.7808	2.8079	2.5245
H3	3.0703	2.1255		2.3820	1.0797	2.4395	3.5091	2.7799	4.6507	4.5504	3.8003	3.9019
Cl4	2.8594	2.7114	2.3820		1.7498	4.3501	4.7081	4.1280	6.0583	5.2470	4.9559	5.0618
C5	2.0794	1.3222	1.0797	1.7498		2.6010	3.1734	2.4876	4.4723	3.9833	3.5644	3.5685
H6	3.0925	2.1331	2.4395	4.3501	2.6010		1.7524	1.0918	2.5070	3.0769	2.5199	2.1651
H7	2.5633	2.1224	3.5091	4.7081	3.1734	1.7524		1.0946	2.4777	2.5196	3.0670	2.1534
C8	2.2175	1.4999	2.7799	4.1280	2.4876	1.0918	1.0946		2.1741	2.1792	2.1767	1.5334
H9	3.8643	3.4665	4.6507	6.0583	4.4723	2.5070	2.4777	2.1741		1.7630	1.7668	1.0905
H10	2.6941	2.7808	4.5504	5.2470	3.9833	3.0769	2.5196	2.1792	1.7630		1.7625	1.0913
H11	3.2262	2.8079	3.8003	4.9559	3.5644	2.5199	3.0670	2.1767	1.7668	1.7625		1.0903
C12	2.8697	2.5245	3.9019	5.0618	3.5685	2.1651	2.1534	1.5334	1.0905	1.0913	1.0903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C5	119.204	H1	C2	C8	117.277
C2	C5	H3	124.173	C2	C5	Cl4	123.320
C2	C8	H6	109.772	C2	C8	H7	108.776
C2	C8	C12	112.657	H3	C5	Cl4	112.508
C5	C2	C8	123.515	H6	C8	H7	106.549
H6	C8	C12	109.982	H7	C8	C12	108.906
C8	C12	H9	110.776	C8	C12	H10	111.134
C8	C12	H11	110.991	H9	C12	H10	107.811
H9	C12	H11	108.215	H10	C12	H11	107.779

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

using model chemistry: B3LYP/aug-cc-pVTZ

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: B3LYP/aug-cc-pVTZ

States and conformations

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