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	hartrees
Energy at 0K	-616.651029
Energy at 298.15K	-616.657989
Nuclear repulsion energy	198.338756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3180	7.08
2	A'	3099	3076	9.04
3	A'	3047	3024	38.41
4	A'	2972	2949	23.18
5	A'	2934	2912	32.86
6	A'	1649	1636	17.98
7	A'	1515	1503	6.00
8	A'	1484	1473	1.90
9	A'	1421	1410	4.54
10	A'	1358	1347	25.92
11	A'	1310	1300	7.30
12	A'	1238	1229	7.54
13	A'	1073	1065	0.10
14	A'	1043	1035	2.50
15	A'	860	854	4.78
16	A'	752	746	69.78
17	A'	490	487	7.60
18	A'	306	303	2.49
19	A'	174	173	0.62
20	A"	3041	3018	41.60
21	A"	2954	2932	20.12
22	A"	1507	1495	6.94
23	A"	1280	1270	0.02
24	A"	1104	1095	1.06
25	A"	948	941	44.91
26	A"	821	815	15.88
27	A"	721	715	0.02
28	A"	277	275	0.79
29	A"	183	181	0.23
30	A"	133	132	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	2.043	-1.649	0.000
H2	2.625	-2.585	0.000
H3	2.337	-1.071	0.893
H4	2.337	-1.071	-0.893
C5	0.528	-1.956	0.000
H6	0.277	-2.582	-0.881
H7	0.277	-2.582	0.881
C8	0.000	0.528	0.000
Cl9	-1.200	1.937	0.000
H10	1.022	0.898	0.000
C11	-0.404	-0.749	0.000
H12	-1.477	-0.973	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.1025	1.1037	1.1037	1.5467	2.1831	2.1831	2.9857	4.8347	2.7434	2.6072	3.5844
H2	1.1025		1.7818	1.7818	2.1898	2.5076	2.5076	4.0725	5.9228	3.8340	3.5418	4.4074
H3	1.1037	1.7818		1.7864	2.2037	3.1102	2.5548	2.9692	4.7279	2.5299	2.9005	3.9181
H4	1.1037	1.7818	1.7864		2.2037	2.5548	3.1102	2.9692	4.7279	2.5299	2.9005	3.9181
C5	1.5467	2.1898	2.2037	2.2037		1.1090	1.1090	2.5400	4.2591	2.8964	1.5244	2.2326
H6	2.1831	2.5076	3.1102	2.5548	1.1090		1.7614	3.2447	4.8350	3.6659	2.1444	2.5382
H7	2.1831	2.5076	2.5548	3.1102	1.1090	1.7614		3.2447	4.8350	3.6659	2.1444	2.5382
C8	2.9857	4.0725	2.9692	2.9692	2.5400	3.2447	3.2447		1.8503	1.0868	1.3401	2.1057
Cl9	4.8347	5.9228	4.7279	4.7279	4.2591	4.8350	4.8350	1.8503		2.4532	2.8016	2.9225
H10	2.7434	3.8340	2.5299	2.5299	2.8964	3.6659	3.6659	1.0868	2.4532		2.1786	3.1213
C11	2.6072	3.5418	2.9005	2.9005	1.5244	2.1444	2.1444	1.3401	2.8016	2.1786		1.0959
H12	3.5844	4.4074	3.9181	3.9181	2.2326	2.5382	2.5382	2.1057	2.9225	3.1213	1.0959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.474	C1	C5	H7	109.474
C1	C5	C11	116.187	H2	C1	H3	107.729
H2	C1	H4	107.729	H2	C1	C5	110.373
H3	C1	H4	108.057	H3	C1	C5	111.398
H4	C1	C5	111.398	C5	C11	C8	124.802
C5	C11	H12	115.903	H6	C5	H7	105.144
H6	C5	C11	107.992	H7	C5	C11	107.992
C8	C11	H12	119.295	Cl9	C8	H10	110.578
Cl9	C8	C11	122.022	H10	C8	C11	127.400

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

using model chemistry: BLYP/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	C	-0.375
2	H	0.125
3	H	0.131
4	H	0.131
5	C	-0.252
6	H	0.136
7	H	0.136
8	C	-0.315
9	Cl	-0.007
10	H	0.162
11	C	0.002
12	H	0.128

	x	y	z	Total
	1.417	-2.347	0.000	2.741
CHELPG
AIM
ESP

<r²>	232.880
(<r²>)^1/2	15.260

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

using model chemistry: BLYP/6-31G

States and conformations

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