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	hartrees
Energy at 0K	-614.777154
Energy at 298.15K	-614.784297
Nuclear repulsion energy	204.777230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3099	7.09
2	A'	3107	3049	5.67
3	A'	3086	3028	16.05
4	A'	2991	2935	14.17
5	A'	2957	2902	18.43
6	A'	1697	1665	15.30
7	A'	1469	1442	9.18
8	A'	1431	1404	5.45
9	A'	1377	1351	16.24
10	A'	1340	1315	8.76
11	A'	1275	1251	0.65
12	A'	1220	1197	2.92
13	A'	1110	1090	5.01
14	A'	1020	1001	11.82
15	A'	915	898	8.99
16	A'	848	832	62.62
17	A'	518	508	0.80
18	A'	328	322	0.92
19	A'	191	187	0.33
20	A"	3067	3010	16.31
21	A"	2985	2929	9.19
22	A"	1457	1430	11.50
23	A"	1246	1222	0.00
24	A"	1065	1045	1.02
25	A"	929	912	40.47
26	A"	804	789	9.84
27	A"	705	692	1.02
28	A"	303	297	1.29
29	A"	203	200	0.85
30	A"	169	166	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	1.870	-1.662	0.000
H2	2.445	-2.602	0.000
H3	2.173	-1.084	0.891
H4	2.173	-1.084	-0.891
C5	0.384	-1.930	0.000
H6	0.113	-2.554	-0.877
H7	0.113	-2.554	0.877
C8	0.000	0.525	0.000
Cl9	-1.011	1.923	0.000
H10	1.068	0.765	0.000
C11	-0.476	-0.718	0.000
H12	-1.565	-0.868	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.1019	1.1045	1.1045	1.5101	2.1566	2.1566	2.8773	4.5996	2.5557	2.5293	3.5257
H2	1.1019		1.7814	1.7814	2.1674	2.4913	2.4913	3.9692	5.6942	3.6375	3.4760	4.3687
H3	1.1045	1.7814		1.7826	2.1702	3.0868	2.5305	2.8468	4.4695	2.3308	2.8191	3.8487
H4	1.1045	1.7814	1.7826		2.1702	2.5305	3.0868	2.8468	4.4695	2.3308	2.8191	3.8487
C5	1.5101	2.1674	2.1702	2.1702		1.1094	1.1094	2.4847	4.0983	2.7800	1.4862	2.2199
H6	2.1566	2.4913	3.0868	2.5305	1.1094		1.7530	3.2030	4.6988	3.5625	2.1178	2.5354
H7	2.1566	2.4913	2.5305	3.0868	1.1094	1.7530		3.2030	4.6988	3.5625	2.1178	2.5354
C8	2.8773	3.9692	2.8468	2.8468	2.4847	3.2030	3.2030		1.7258	1.0944	1.3314	2.0945
Cl9	4.5996	5.6942	4.4695	4.4695	4.0983	4.6988	4.6988	1.7258		2.3800	2.6954	2.8453
H10	2.5557	3.6375	2.3308	2.3308	2.7800	3.5625	3.5625	1.0944	2.3800		2.1410	3.0974
C11	2.5293	3.4760	2.8191	2.8191	1.4862	2.1178	2.1178	1.3314	2.6954	2.1410		1.0985
H12	3.5257	4.3687	3.8487	3.8487	2.2199	2.5354	2.5354	2.0945	2.8453	3.0974	1.0985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.891	C1	C5	H7	109.891
C1	C5	C11	115.155	H2	C1	H3	107.674
H2	C1	H4	107.674	H2	C1	C5	111.191
H3	C1	H4	107.596	H3	C1	C5	111.262
H4	C1	C5	111.262	C5	C11	C8	123.642
C5	C11	H12	117.589	H6	C5	H7	104.385
H6	C5	C11	108.478	H7	C5	C11	108.478
C8	C11	H12	118.769	Cl9	C8	H10	113.204
Cl9	C8	C11	123.167	H10	C8	C11	123.629

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

using model chemistry: LSDA/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	-0.554
2	H	0.183
3	H	0.185
4	H	0.185
5	C	-0.362
6	H	0.188
7	H	0.188
8	C	-0.310
9	Cl	-0.009
10	H	0.199
11	C	-0.063
12	H	0.171

	x	y	z	Total
	0.949	-1.905	0.000	2.128
CHELPG
AIM
ESP

	x	y	z
x	7.682	-1.371	0.000
y	-1.371	11.143	0.000
z	0.000	0.000	5.030

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G*

States and conformations

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