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	hartrees
Energy at 0K	-614.880143
Energy at 298.15K	-614.887307
Nuclear repulsion energy	205.725164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3126	3092	5.94
2	A'	3082	3049	3.76
3	A'	3057	3024	14.71
4	A'	2966	2934	15.26
5	A'	2938	2906	15.07
6	A'	1675	1657	13.93
7	A'	1429	1414	8.40
8	A'	1391	1376	8.99
9	A'	1346	1331	14.25
10	A'	1320	1306	5.73
11	A'	1259	1245	0.56
12	A'	1195	1182	3.68
13	A'	1100	1088	4.71
14	A'	1008	997	13.91
15	A'	907	897	9.74
16	A'	842	833	57.44
17	A'	519	513	0.86
18	A'	327	323	0.62
19	A'	189	187	0.27
20	A"	3037	3004	13.81
21	A"	2961	2929	5.25
22	A"	1418	1402	11.69
23	A"	1229	1215	0.06
24	A"	1053	1042	1.60
25	A"	923	913	41.66
26	A"	808	799	7.20
27	A"	705	698	1.49
28	A"	291	288	1.38
29	A"	201	199	0.91
30	A"	174	172	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	1.868	-1.650	0.000
H2	2.443	-2.585	0.000
H3	2.169	-1.073	0.888
H4	2.169	-1.073	-0.888
C5	0.388	-1.920	0.000
H6	0.116	-2.541	-0.873
H7	0.116	-2.541	0.873
C8	0.000	0.523	0.000
Cl9	-1.014	1.910	0.000
H10	1.063	0.768	0.000
C11	-0.469	-0.714	0.000
H12	-1.554	-0.862	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0979	1.1007	1.1007	1.5040	2.1506	2.1506	2.8649	4.5796	2.5480	2.5171	3.5113
H2	1.0979		1.7747	1.7747	2.1597	2.4858	2.4858	3.9528	5.6702	3.6256	3.4611	4.3525
H3	1.1007	1.7747		1.7753	2.1625	3.0774	2.5238	2.8350	4.4511	2.3234	2.8062	3.8330
H4	1.1007	1.7747	1.7753		2.1625	2.5238	3.0774	2.8350	4.4511	2.3234	2.8062	3.8330
C5	1.5040	2.1597	2.1625	2.1625		1.1055	1.1055	2.4734	4.0783	2.7714	1.4794	2.2117
H6	2.1506	2.4858	3.0774	2.5238	1.1055		1.7466	3.1878	4.6740	3.5507	2.1075	2.5240
H7	2.1506	2.4858	2.5238	3.0774	1.1055	1.7466		3.1878	4.6740	3.5507	2.1075	2.5240
C8	2.8649	3.9528	2.8350	2.8350	2.4734	3.1878	3.1878		1.7181	1.0910	1.3230	2.0815
Cl9	4.5796	5.6702	4.4511	4.4511	4.0783	4.6740	4.6740	1.7181		2.3703	2.6799	2.8237
H10	2.5480	3.6256	2.3234	2.3234	2.7714	3.5507	3.5507	1.0910	2.3703		2.1318	3.0832
C11	2.5171	3.4611	2.8062	2.8062	1.4794	2.1075	2.1075	1.3230	2.6799	2.1318		1.0950
H12	3.5113	4.3525	3.8330	3.8330	2.2117	2.5240	2.5240	2.0815	2.8237	3.0832	1.0950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.065	C1	C5	H7	110.065
C1	C5	C11	115.057	H2	C1	H3	107.646
H2	C1	H4	107.646	H2	C1	C5	111.246
H3	C1	H4	107.504	H3	C1	C5	111.305
H4	C1	C5	111.305	C5	C11	C8	123.819
C5	C11	H12	117.661	H6	C5	H7	104.362
H6	C5	C11	108.365	H7	C5	C11	108.365
C8	C11	H12	118.520	Cl9	C8	H10	113.191
Cl9	C8	C11	123.055	H10	C8	C11	123.754

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

using model chemistry: LSDA/cc-pVTZ

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	-0.371
2	H	0.120
3	H	0.121
4	H	0.121
5	C	-0.177
6	H	0.120
7	H	0.120
8	C	-0.145
9	Cl	-0.075
10	H	0.138
11	C	-0.108
12	H	0.134

	x	y	z	Total
	0.922	-1.841	0.000	2.059
CHELPG
AIM
ESP

	x	y	z
x	9.078	-1.498	0.000
y	-1.498	12.402	0.000
z	0.000	0.000	6.398

<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/cc-pVTZ

States and conformations

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