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	hartrees
Energy at 0K	-616.406470
Energy at 298.15K	-616.413515
Nuclear repulsion energy	202.616155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3125	7.97
2	A'	3101	3070	6.67
3	A'	3064	3032	23.09
4	A'	2980	2949	17.94
5	A'	2946	2915	24.22
6	A'	1648	1631	12.98
7	A'	1459	1444	4.36
8	A'	1418	1403	2.36
9	A'	1361	1347	6.07
10	A'	1323	1309	19.74
11	A'	1277	1264	1.33
12	A'	1205	1193	5.83
13	A'	1081	1069	2.98
14	A'	1012	1002	8.67
15	A'	879	870	9.90
16	A'	816	808	57.50
17	A'	509	503	2.23
18	A'	317	314	0.84
19	A'	176	174	0.40
20	A"	3054	3023	22.79
21	A"	2970	2939	11.80
22	A"	1449	1434	6.28
23	A"	1245	1232	0.08
24	A"	1062	1051	1.57
25	A"	941	932	28.26
26	A"	798	790	6.03
27	A"	703	696	0.58
28	A"	289	286	0.76
29	A"	195	193	0.41
30	A"	150	148	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	1.914	-1.706	0.000
H2	2.457	-2.663	0.000
H3	2.233	-1.140	0.891
H4	2.233	-1.140	-0.891
C5	0.402	-1.943	0.000
H6	0.121	-2.560	-0.876
H7	0.121	-2.560	0.876
C8	0.000	0.545	0.000
Cl9	-1.047	1.941	0.000
H10	1.055	0.821	0.000
C11	-0.461	-0.710	0.000
H12	-1.545	-0.870	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.1008	1.1025	1.1025	1.5306	2.1708	2.1708	2.9548	4.6975	2.6683	2.5756	3.5584
H2	1.1008		1.7790	1.7790	2.1772	2.4967	2.4967	4.0413	5.7859	3.7555	3.5115	4.3849
H3	1.1025	1.7790		1.7822	2.1886	3.0981	2.5447	2.9360	4.5875	2.4547	2.8699	3.8907
H4	1.1025	1.7790	1.7822		2.1886	2.5447	3.0981	2.9360	4.5875	2.4547	2.8699	3.8907
C5	1.5306	2.1772	2.1886	2.1886		1.1077	1.1077	2.5207	4.1454	2.8397	1.5054	2.2229
H6	2.1708	2.4967	3.0981	2.5447	1.1077		1.7521	3.2287	4.7316	3.6149	2.1283	2.5293
H7	2.1708	2.4967	2.5447	3.0981	1.1077	1.7521		3.2287	4.7316	3.6149	2.1283	2.5293
C8	2.9548	4.0413	2.9360	2.9360	2.5207	3.2287	3.2287		1.7447	1.0903	1.3371	2.0954
Cl9	4.6975	5.7859	4.5875	4.5875	4.1454	4.7316	4.7316	1.7447		2.3821	2.7145	2.8548
H10	2.6683	3.7555	2.4547	2.4547	2.8397	3.6149	3.6149	1.0903	2.3821		2.1542	3.1014
C11	2.5756	3.5115	2.8699	2.8699	1.5054	2.1283	2.1283	1.3371	2.7145	2.1542		1.0956
H12	3.5584	4.3849	3.8907	3.8907	2.2229	2.5293	2.5293	2.0954	2.8548	3.1014	1.0956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.698	C1	C5	H7	109.698
C1	C5	C11	116.066	H2	C1	H3	107.694
H2	C1	H4	107.694	H2	C1	C5	110.603
H3	C1	H4	107.857	H3	C1	C5	111.413
H4	C1	C5	111.413	C5	C11	C8	124.835
C5	C11	H12	116.559	H6	C5	H7	104.533
H6	C5	C11	108.104	H7	C5	C11	108.104
C8	C11	H12	118.606	Cl9	C8	H10	112.268
Cl9	C8	C11	122.933	H10	C8	C11	124.799

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.422
2	H	0.131
3	H	0.137
4	H	0.137
5	C	-0.240
6	H	0.131
7	H	0.131
8	C	-0.111
9	Cl	-0.133
10	H	0.141
11	C	-0.019
12	H	0.117

	x	y	z	Total
	0.993	-1.888	0.000	2.133
CHELPG
AIM
ESP

	x	y	z
x	8.276	-1.491	0.000
y	-1.491	11.701	0.000
z	0.000	0.000	5.715

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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