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	hartrees
Energy at 0K	-616.828086
Energy at 298.15K	-616.835236
Nuclear repulsion energy	202.566406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3115	8.94
2	A'	3172	3048	7.79
3	A'	3124	3002	29.93
4	A'	3048	2929	19.43
5	A'	3017	2899	28.15
6	A'	1709	1642	14.94
7	A'	1523	1464	4.14
8	A'	1488	1430	1.52
9	A'	1430	1374	6.02
10	A'	1383	1329	22.97
11	A'	1330	1278	1.67
12	A'	1268	1218	6.31
13	A'	1105	1062	1.10
14	A'	1048	1006	6.01
15	A'	891	856	6.74
16	A'	827	795	64.97
17	A'	520	500	3.88
18	A'	327	314	1.10
19	A'	183	176	0.49
20	A"	3117	2995	31.91
21	A"	3039	2920	16.97
22	A"	1515	1455	5.87
23	A"	1297	1246	0.09
24	A"	1110	1066	1.37
25	A"	977	939	35.12
26	A"	832	799	7.85
27	A"	730	701	0.25
28	A"	297	286	0.68
29	A"	199	191	0.28
30	A"	145	139	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	1.925	-1.707	0.000
H2	2.460	-2.661	0.000
H3	2.243	-1.147	0.886
H4	2.243	-1.147	-0.886
C5	0.413	-1.942	0.000
H6	0.136	-2.552	-0.872
H7	0.136	-2.552	0.872
C8	0.000	0.543	0.000
Cl9	-1.062	1.941	0.000
H10	1.046	0.822	0.000
C11	-0.452	-0.708	0.000
H12	-1.528	-0.874	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0937	1.0949	1.0949	1.5298	2.1622	2.1622	2.9610	4.7148	2.6779	2.5789	3.5520
H2	1.0937		1.7671	1.7671	2.1691	2.4847	2.4847	4.0393	5.7949	3.7596	3.5066	4.3698
H3	1.0949	1.7671		1.7712	2.1827	3.0826	2.5326	2.9450	4.6092	2.4695	2.8713	3.8835
H4	1.0949	1.7671	1.7712		2.1827	2.5326	3.0826	2.9450	4.6092	2.4695	2.8713	3.8835
C5	1.5298	2.1691	2.1827	2.1827		1.0996	1.0996	2.5188	4.1536	2.8356	1.5074	2.2156
H6	2.1622	2.4847	3.0826	2.5326	1.0996		1.7438	3.2177	4.7304	3.6016	2.1225	2.5183
H7	2.1622	2.4847	2.5326	3.0826	1.0996	1.7438		3.2177	4.7304	3.6016	2.1225	2.5183
C8	2.9610	4.0393	2.9450	2.9450	2.5188	3.2177	3.2177		1.7556	1.0823	1.3301	2.0839
Cl9	4.7148	5.7949	4.6092	4.6092	4.1536	4.7304	4.7304	1.7556		2.3858	2.7180	2.8535
H10	2.6779	3.7596	2.4695	2.4695	2.8356	3.6016	3.6016	1.0823	2.3858		2.1414	3.0824
C11	2.5789	3.5066	2.8713	2.8713	1.5074	2.1225	2.1225	1.3301	2.7180	2.1414		1.0883
H12	3.5520	4.3698	3.8835	3.8835	2.2156	2.5183	2.5183	2.0839	2.8535	3.0824	1.0883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.552	C1	C5	H7	109.552
C1	C5	C11	116.226	H2	C1	H3	107.688
H2	C1	H4	107.688	H2	C1	C5	110.441
H3	C1	H4	107.962	H3	C1	C5	111.449
H4	C1	C5	111.449	C5	C11	C8	125.057
C5	C11	H12	116.267	H6	C5	H7	104.924
H6	C5	C11	107.990	H7	C5	C11	107.990
C8	C11	H12	118.676	Cl9	C8	H10	112.247
Cl9	C8	C11	122.898	H10	C8	C11	124.855

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

using model chemistry: B3LYP/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	-0.332
2	H	0.109
3	H	0.114
4	H	0.114
5	C	-0.207
6	H	0.117
7	H	0.117
8	C	-0.224
9	Cl	-0.042
10	H	0.141
11	C	-0.016
12	H	0.108

	x	y	z	Total
	1.056	-1.989	0.000	2.252
CHELPG
AIM
ESP

	x	y	z
x	7.587	-1.348	0.000
y	-1.348	10.921	0.000
z	0.000	0.000	4.980

<r²>	223.294
(<r²>)^1/2	14.943

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

using model chemistry: B3LYP/6-31G**

States and conformations

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