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	hartrees
Energy at 0K	-613.762493
Energy at 298.15K	-613.769585
Nuclear repulsion energy	200.145847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3170	5.25
2	A'	3181	3069	2.78
3	A'	3122	3013	25.41
4	A'	3055	2948	15.20
5	A'	3035	2928	16.45
6	A'	1712	1652	17.98
7	A'	1571	1516	7.21
8	A'	1533	1479	3.59
9	A'	1462	1411	8.83
10	A'	1395	1346	15.89
11	A'	1352	1305	10.24
12	A'	1267	1223	9.16
13	A'	1098	1059	0.27
14	A'	1058	1021	1.56
15	A'	872	842	4.71
16	A'	768	741	68.56
17	A'	504	487	7.19
18	A'	315	304	2.47
19	A'	180	173	0.67
20	A"	3120	3010	27.45
21	A"	3056	2949	8.61
22	A"	1566	1511	8.46
23	A"	1338	1291	0.00
24	A"	1143	1103	1.16
25	A"	983	948	55.27
26	A"	857	827	18.55
27	A"	747	721	0.20
28	A"	286	276	0.75
29	A"	189	182	0.28
30	A"	134	130	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	2.076	-1.558	0.000
H2	2.688	-2.465	0.000
H3	2.333	-0.973	0.890
H4	2.333	-0.973	-0.890
C5	0.579	-1.927	0.000
H6	0.353	-2.546	-0.880
H7	0.353	-2.546	0.880
C8	0.000	0.521	0.000
Cl9	-1.254	1.873	0.000
H10	1.003	0.915	0.000
C11	-0.374	-0.747	0.000
H12	-1.434	-0.987	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0947	1.0954	1.0954	1.5414	2.1718	2.1718	2.9373	4.7806	2.6951	2.5804	3.5558
H2	1.0947		1.7735	1.7735	2.1763	2.4959	2.4959	4.0174	5.8613	3.7766	3.5110	4.3788
H3	1.0954	1.7735		1.7794	2.1857	3.0861	2.5286	2.9094	4.6641	2.4744	2.8584	3.8706
H4	1.0954	1.7735	1.7794		2.1857	2.5286	3.0861	2.9094	4.6641	2.4744	2.8584	3.8706
C5	1.5414	2.1763	2.1857	2.1857		1.0992	1.0992	2.5147	4.2184	2.8727	1.5166	2.2216
H6	2.1718	2.4959	3.0861	2.5286	1.0992		1.7593	3.2096	4.7834	3.6292	2.1304	2.5295
H7	2.1718	2.4959	2.5286	3.0861	1.0992	1.7593		3.2096	4.7834	3.6292	2.1304	2.5295
C8	2.9373	4.0174	2.9094	2.9094	2.5147	3.2096	3.2096		1.8441	1.0777	1.3215	2.0806
Cl9	4.7806	5.8613	4.6641	4.6641	4.2184	4.7834	4.7834	1.8441		2.4518	2.7635	2.8654
H10	2.6951	3.7766	2.4744	2.4744	2.8727	3.6292	3.6292	1.0777	2.4518		2.1580	3.0911
C11	2.5804	3.5110	2.8584	2.8584	1.5166	2.1304	2.1304	1.3215	2.7635	2.1580		1.0868
H12	3.5558	4.3788	3.8706	3.8706	2.2216	2.5295	2.5295	2.0806	2.8654	3.0911	1.0868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.531	C1	C5	H7	109.531
C1	C5	C11	115.094	H2	C1	H3	108.150
H2	C1	H4	108.150	H2	C1	C5	110.142
H3	C1	H4	108.625	H3	C1	C5	110.842
H4	C1	C5	110.842	C5	C11	C8	124.621
C5	C11	H12	116.181	H6	C5	H7	106.307
H6	C5	C11	108.003	H7	C5	C11	108.003
C8	C11	H12	119.199	Cl9	C8	H10	111.385
Cl9	C8	C11	120.723	H10	C8	C11	127.891

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

using model chemistry: B3LYP/3-21G

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	-0.564
2	H	0.199
3	H	0.198
4	H	0.198
5	C	-0.429
6	H	0.215
7	H	0.215
8	C	-0.399
9	Cl	0.014
10	H	0.245
11	C	-0.111
12	H	0.219

	x	y	z	Total
	1.544	-2.372	0.000	2.830
CHELPG
AIM
ESP

	x	y	z
x	7.262	-1.797	0.000
y	-1.797	10.094	0.000
z	0.000	0.000	4.139

<r²>	228.439
(<r²>)^1/2	15.114

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

using model chemistry: B3LYP/3-21G

States and conformations

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