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	hartrees
Energy at 0K	-41.708325
Energy at 298.15K	-41.715381
Nuclear repulsion energy	88.497797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3123	10.78
2	A'	3168	3059	10.12
3	A'	3116	3009	50.23
4	A'	3045	2941	25.63
5	A'	3024	2920	37.63
6	A'	1693	1635	15.13
7	A'	1509	1457	4.95
8	A'	1475	1425	2.18
9	A'	1418	1369	7.70
10	A'	1364	1317	23.10
11	A'	1313	1268	1.75
12	A'	1244	1202	10.18
13	A'	1095	1058	1.61
14	A'	1030	994	6.31
15	A'	883	852	7.46
16	A'	818	790	71.04
17	A'	506	489	3.34
18	A'	318	307	1.34
19	A'	181	175	0.42
20	A"	3118	3011	57.49
21	A"	3052	2947	23.36
22	A"	1504	1452	7.97
23	A"	1278	1234	0.27
24	A"	1089	1051	5.13
25	A"	975	942	63.07
26	A"	818	790	13.14
27	A"	716	692	0.47
28	A"	297	287	1.15
29	A"	195	188	0.73
30	A"	137	133	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-1.918	-0.988	0.000
H2	-3.018	-1.076	0.000
H3	-1.537	-1.512	0.894
H4	-1.537	-1.512	-0.894
C5	-1.502	0.501	0.000
H6	-1.939	1.009	-0.881
H7	-1.939	1.009	0.881
C8	0.950	-0.201	0.000
Cl9	2.682	0.173	0.000
H10	0.756	-1.273	0.000
C11	0.000	0.770	0.000
H12	0.319	1.818	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.1034	1.1039	1.1039	1.5467	2.1835	2.1835	2.9735	4.7441	2.6889	2.6019	3.5889
H2	1.1034		1.7836	1.7836	2.1881	2.5080	2.5080	4.0627	5.8350	3.7788	3.5377	4.4173
H3	1.1039	1.7836		1.7880	2.2035	3.1099	2.5537	2.9501	4.6304	2.4728	2.8933	3.9162
H4	1.1039	1.7836	1.7880		2.2035	2.5537	3.1099	2.9501	4.6304	2.4728	2.8933	3.9162
C5	1.5467	2.1881	2.2035	2.2035		1.1072	1.1072	2.5497	4.1965	2.8716	1.5254	2.2470
H6	2.1835	2.5080	3.1099	2.5537	1.1072		1.7619	3.2535	4.7782	3.6402	2.1433	2.5553
H7	2.1835	2.5080	2.5537	3.1099	1.1072	1.7619		3.2535	4.7782	3.6402	2.1433	2.5553
C8	2.9735	4.0627	2.9501	2.9501	2.5497	3.2535	3.2535		1.7723	1.0899	1.3580	2.1151
Cl9	4.7441	5.8350	4.6304	4.6304	4.1965	4.7782	4.7782	1.7723		2.4085	2.7477	2.8794
H10	2.6889	3.7788	2.4728	2.4728	2.8716	3.6402	3.6402	1.0899	2.4085		2.1787	3.1223
C11	2.6019	3.5377	2.8933	2.8933	1.5254	2.1433	2.1433	1.3580	2.7477	2.1787		1.0957
H12	3.5889	4.4173	3.9162	3.9162	2.2470	2.5553	2.5553	2.1151	2.8794	3.1223	1.0957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.615	C1	C5	H7	109.615
C1	C5	C11	115.754	H2	C1	H3	107.807
H2	C1	H4	107.807	H2	C1	C5	110.186
H3	C1	H4	108.160	H3	C1	C5	111.368
H4	C1	C5	111.368	C5	C11	C8	124.222
C5	C11	H12	117.073	H6	C5	H7	105.445
H6	C5	C11	107.951	H7	C5	C11	107.951
C8	C11	H12	118.704	Cl9	C8	H10	112.397
Cl9	C8	C11	122.199	H10	C8	C11	125.404

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

using model chemistry: B3LYP/CEP-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	-0.435
2	H	0.180
3	H	0.142
4	H	0.142
5	C	-0.267
6	H	0.132
7	H	0.132
8	C	-0.311
9	Cl	-0.146
10	H	0.305
11	C	-0.181
12	H	0.307

	x	y	z	Total
	-2.387	-0.077	0.000	2.388
CHELPG
AIM
ESP

	x	y	z
x	11.823	-0.428	0.000
y	-0.428	7.228	0.000
z	0.000	0.000	5.026

<r²>	147.062
(<r²>)^1/2	12.127

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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