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	hartrees
Energy at 0K	-40.699534
Energy at 298.15K	-40.706926
Nuclear repulsion energy	89.503021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3415	3085	12.99
2	A'	3337	3015	12.34
3	A'	3256	2941	63.77
4	A'	3187	2880	20.29
5	A'	3181	2874	56.93
6	A'	1823	1647	16.96
7	A'	1639	1481	2.60
8	A'	1616	1460	0.93
9	A'	1555	1405	7.34
10	A'	1501	1356	22.67
11	A'	1430	1292	3.12
12	A'	1369	1237	11.51
13	A'	1179	1065	0.04
14	A'	1105	999	5.68
15	A'	932	842	6.47
16	A'	895	808	69.57
17	A'	552	498	6.38
18	A'	344	310	0.85
19	A'	193	174	0.58
20	A"	3257	2942	70.97
21	A"	3208	2898	21.36
22	A"	1632	1474	6.38
23	A"	1400	1264	1.12
24	A"	1207	1090	3.64
25	A"	1073	969	53.32
26	A"	909	821	6.23
27	A"	790	714	0.01
28	A"	313	283	0.66
29	A"	212	192	0.40
30	A"	140	126	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	-1.904	-1.018	0.000
H2	-2.988	-1.100	0.000
H3	-1.533	-1.536	0.881
H4	-1.533	-1.536	-0.881
C5	-1.492	0.460	0.000
H6	-1.921	0.958	-0.868
H7	-1.921	0.958	0.868
C8	0.952	-0.176	0.000
Cl9	2.656	0.241	0.000
H10	0.793	-1.237	0.000
C11	0.000	0.739	0.000
H12	0.286	1.780	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0866	1.0870	1.0870	1.5342	2.1579	2.1579	2.9777	4.7307	2.7058	2.5908	3.5527
H2	1.0866		1.7551	1.7551	2.1613	2.4749	2.4749	4.0467	5.8007	3.7828	3.5083	4.3597
H3	1.0870	1.7551		1.7615	2.1818	3.0704	2.5235	2.9668	4.6350	2.5052	2.8814	3.8830
H4	1.0870	1.7551	1.7615		2.1818	2.5235	3.0704	2.9668	4.6350	2.5052	2.8814	3.8830
C5	1.5342	2.1613	2.1818	2.1818		1.0893	1.0893	2.5254	4.1535	2.8458	1.5175	2.2137
H6	2.1579	2.4749	3.0704	2.5235	1.0893		1.7369	3.2091	4.7139	3.5969	2.1198	2.5101
H7	2.1579	2.4749	2.5235	3.0704	1.0893	1.7369		3.2091	4.7139	3.5969	2.1198	2.5101
C8	2.9777	4.0467	2.9668	2.9668	2.5254	3.2091	3.2091		1.7541	1.0726	1.3210	2.0668
Cl9	4.7307	5.8007	4.6350	4.6350	4.1535	4.7139	4.7139	1.7541		2.3783	2.7024	2.8263
H10	2.7058	3.7828	2.5052	2.5052	2.8458	3.5969	3.5969	1.0726	2.3783		2.1293	3.0593
C11	2.5908	3.5083	2.8814	2.8814	1.5175	2.1198	2.1198	1.3210	2.7024	2.1293		1.0792
H12	3.5527	4.3597	3.8830	3.8830	2.2137	2.5101	2.5101	2.0668	2.8263	3.0593	1.0792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.512	C1	C5	H7	109.512
C1	C5	C11	116.197	H2	C1	H3	107.699
H2	C1	H4	107.699	H2	C1	C5	109.938
H3	C1	H4	108.245	H3	C1	C5	111.551
H4	C1	C5	111.551	C5	C11	C8	125.525
C5	C11	H12	115.943	H6	C5	H7	105.739
H6	C5	C11	107.681	H7	C5	C11	107.681
C8	C11	H12	118.531	Cl9	C8	H10	112.315
Cl9	C8	C11	122.363	H10	C8	C11	125.321

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

using model chemistry: HF/CEP-121G*

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	-0.545
2	H	0.179
3	H	0.164
4	H	0.164
5	C	-0.251
6	H	0.162
7	H	0.162
8	C	-0.208
9	Cl	-0.167
10	H	0.248
11	C	-0.132
12	H	0.224

	x	y	z	Total
	-2.481	-0.164	0.000	2.487
CHELPG
AIM
ESP

	x	y	z
x	11.270	-0.531	0.000
y	-0.531	7.525	0.000
z	0.000	0.000	5.628

<r²>	145.783
(<r²>)^1/2	12.074

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

using model chemistry: HF/CEP-121G*

States and conformations

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