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	hartrees
Energy at 0K	-616.770410
Energy at 298.15K	-616.777408
Nuclear repulsion energy	200.861267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3135	10.39
2	A'	3070	3062	11.09
3	A'	3021	3014	40.15
4	A'	2961	2953	25.61
5	A'	2925	2918	33.14
6	A'	1630	1626	17.16
7	A'	1491	1488	5.69
8	A'	1453	1449	2.52
9	A'	1393	1390	6.37
10	A'	1343	1340	26.51
11	A'	1297	1294	1.91
12	A'	1232	1229	6.92
13	A'	1066	1064	0.19
14	A'	1021	1019	5.23
15	A'	854	852	5.79
16	A'	779	777	72.65
17	A'	501	499	5.81
18	A'	314	313	1.14
19	A'	175	174	0.49
20	A"	3016	3009	42.92
21	A"	2935	2928	19.58
22	A"	1487	1483	8.46
23	A"	1271	1268	0.15
24	A"	1081	1079	1.24
25	A"	932	929	45.54
26	A"	800	798	9.63
27	A"	702	700	0.04
28	A"	289	288	0.84
29	A"	191	191	0.64
30	A"	138	138	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	1.952	-1.723	0.000
H2	2.484	-2.685	0.000
H3	2.280	-1.165	0.889
H4	2.280	-1.165	-0.889
C5	0.429	-1.951	0.000
H6	0.149	-2.566	-0.875
H7	0.149	-2.566	0.875
C8	0.000	0.546	0.000
Cl9	-1.087	1.955	0.000
H10	1.044	0.850	0.000
C11	-0.445	-0.712	0.000
H12	-1.525	-0.888	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0992	1.1002	1.1002	1.5398	2.1743	2.1743	2.9934	4.7707	2.7284	2.6011	3.5759
H2	1.0992		1.7733	1.7733	2.1815	2.4962	2.4962	4.0756	5.8545	3.8169	3.5309	4.3931
H3	1.1002	1.7733		1.7790	2.1987	3.1012	2.5504	2.9858	4.6748	2.5251	2.9014	3.9170
H4	1.1002	1.7733	1.7790		2.1987	2.5504	3.1012	2.9858	4.6748	2.5251	2.9014	3.9170
C5	1.5398	2.1815	2.1987	2.1987		1.1054	1.1054	2.5344	4.1899	2.8679	1.5162	2.2249
H6	2.1743	2.4962	3.1012	2.5504	1.1054		1.7499	3.2366	4.7675	3.6381	2.1340	2.5267
H7	2.1743	2.4962	2.5504	3.1012	1.1054	1.7499		3.2366	4.7675	3.6381	2.1340	2.5267
C8	2.9934	4.0756	2.9858	2.9858	2.5344	3.2366	3.2366		1.7789	1.0872	1.3352	2.0935
Cl9	4.7707	5.8545	4.6748	4.6748	4.1899	4.7675	4.7675	1.7789		2.4002	2.7432	2.8760
H10	2.7284	3.8169	2.5251	2.5251	2.8679	3.6381	3.6381	1.0872	2.4002		2.1581	3.1015
C11	2.6011	3.5309	2.9014	2.9014	1.5162	2.1340	2.1340	1.3352	2.7432	2.1581		1.0944
H12	3.5759	4.3931	3.9170	3.9170	2.2249	2.5267	2.5267	2.0935	2.8760	3.1015	1.0944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.466	C1	C5	H7	109.466
C1	C5	C11	116.670	H2	C1	H3	107.470
H2	C1	H4	107.470	H2	C1	C5	110.394
H3	C1	H4	107.900	H3	C1	C5	111.704
H4	C1	C5	111.704	C5	C11	C8	125.338
C5	C11	H12	115.977	H6	C5	H7	104.652
H6	C5	C11	107.953	H7	C5	C11	107.953
C8	C11	H12	118.685	Cl9	C8	H10	111.455
Cl9	C8	C11	122.875	H10	C8	C11	125.670

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

using model chemistry: BLYP/6-311G*

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	-0.617
2	H	0.205
3	H	0.205
4	H	0.205
5	C	-0.388
6	H	0.207
7	H	0.207
8	C	-0.295
9	Cl	-0.069
10	H	0.242
11	C	-0.103
12	H	0.201

	x	y	z	Total
	1.056	-2.054	0.000	2.310
CHELPG
AIM
ESP

<r²>	228.027
(<r²>)^1/2	15.101

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

using model chemistry: BLYP/6-311G*

States and conformations

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