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	hartrees
Energy at 0K	-616.834728
Energy at 298.15K	-616.841867
Nuclear repulsion energy	202.342779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3123	7.94
2	A'	3168	3054	7.88
3	A'	3115	3003	32.06
4	A'	3041	2932	23.23
5	A'	3014	2906	29.65
6	A'	1695	1634	16.13
7	A'	1514	1460	6.04
8	A'	1480	1427	3.07
9	A'	1423	1372	8.12
10	A'	1378	1328	20.57
11	A'	1326	1279	1.97
12	A'	1265	1220	6.88
13	A'	1101	1062	0.88
14	A'	1045	1007	6.48
15	A'	886	854	7.62
16	A'	824	794	67.98
17	A'	520	501	4.24
18	A'	326	314	0.93
19	A'	182	175	0.44
20	A"	3109	2998	32.87
21	A"	3035	2927	13.06
22	A"	1507	1453	8.77
23	A"	1291	1245	0.36
24	A"	1106	1066	2.22
25	A"	968	933	45.20
26	A"	833	803	8.47
27	A"	730	704	0.12
28	A"	296	285	0.91
29	A"	197	190	0.73
30	A"	143	138	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	1.927	-1.713	0.000
H2	2.457	-2.671	0.000
H3	2.249	-1.156	0.886
H4	2.249	-1.156	-0.886
C5	0.414	-1.943	0.000
H6	0.135	-2.551	-0.873
H7	0.135	-2.551	0.873
C8	0.000	0.546	0.000
Cl9	-1.064	1.944	0.000
H10	1.045	0.828	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		1.0943	1.0955	1.0955	1.5309	2.1628	2.1628	2.9695	4.7243	2.6901	2.5829	3.5555
H2	1.0943		1.7675	1.7675	2.1689	2.4839	2.4839	4.0476	5.8042	3.7731	3.5093	4.3710
H3	1.0955	1.7675		1.7729	2.1851	3.0844	2.5336	2.9566	4.6227	2.4844	2.8779	3.8899
H4	1.0955	1.7675	1.7729		2.1851	2.5336	3.0844	2.9566	4.6227	2.4844	2.8779	3.8899
C5	1.5309	2.1689	2.1851	2.1851		1.0997	1.0997	2.5230	4.1581	2.8422	1.5085	2.2163
H6	2.1628	2.4839	3.0844	2.5336	1.0997		1.7455	3.2202	4.7329	3.6069	2.1222	2.5173
H7	2.1628	2.4839	2.5336	3.0844	1.0997	1.7455		3.2202	4.7329	3.6069	2.1222	2.5173
C8	2.9695	4.0476	2.9566	2.9566	2.5230	3.2202	3.2202		1.7566	1.0827	1.3321	2.0855
Cl9	4.7243	5.8042	4.6227	4.6227	4.1581	4.7329	4.7329	1.7566		2.3857	2.7210	2.8558
H10	2.6901	3.7731	2.4844	2.4844	2.8422	3.6069	3.6069	1.0827	2.3857		2.1444	3.0849
C11	2.5829	3.5093	2.8779	2.8779	1.5085	2.1222	2.1222	1.3321	2.7210	2.1444		1.0888
H12	3.5555	4.3710	3.8899	3.8899	2.2163	2.5173	2.5173	2.0855	2.8558	3.0849	1.0888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.517	C1	C5	H7	109.517
C1	C5	C11	116.375	H2	C1	H3	107.635
H2	C1	H4	107.635	H2	C1	C5	110.308
H3	C1	H4	108.033	H3	C1	C5	111.530
H4	C1	C5	111.530	C5	C11	C8	125.172
C5	C11	H12	116.212	H6	C5	H7	105.052
H6	C5	C11	107.886	H7	C5	C11	107.886
C8	C11	H12	118.616	Cl9	C8	H10	112.142
Cl9	C8	C11	122.921	H10	C8	C11	124.936

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

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

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	ESP
1	C	-0.591	-0.206
2	H	0.151	0.055
3	H	0.156	0.054
4	H	0.156	0.054
5	C	-0.307	0.147
6	H	0.155	0.007
7	H	0.155	0.007
8	C	-0.300	-0.204
9	Cl	0.058	-0.112
10	H	0.170	0.196
11	C	0.053	-0.119
12	H	0.145	0.121

	x	y	z	Total
	1.073	-2.056	0.000	2.319
CHELPG
AIM
ESP	1.133	-2.061	0.000	2.352

	x	y	z
x	8.531	-1.264	0.000
y	-1.264	11.939	0.000
z	0.000	0.000	6.478

<r²>	224.473
(<r²>)^1/2	14.982

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

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

States and conformations

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