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	hartrees
Energy at 0K	-616.780404
Energy at 298.15K	-616.787404
Nuclear repulsion energy	200.900903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3134	8.98
2	A'	3072	3060	8.53
3	A'	3021	3009	34.97
4	A'	2959	2947	23.23
5	A'	2924	2912	29.03
6	A'	1625	1618	16.89
7	A'	1475	1469	5.03
8	A'	1439	1433	2.54
9	A'	1382	1376	5.33
10	A'	1334	1329	25.23
11	A'	1289	1284	2.01
12	A'	1222	1217	7.81
13	A'	1061	1057	0.33
14	A'	1017	1013	5.44
15	A'	852	849	6.26
16	A'	778	775	72.88
17	A'	500	498	5.85
18	A'	314	312	1.10
19	A'	174	174	0.50
20	A"	3015	3004	37.08
21	A"	2936	2924	17.09
22	A"	1469	1463	7.39
23	A"	1260	1255	0.18
24	A"	1075	1071	1.39
25	A"	934	931	44.68
26	A"	803	800	9.52
27	A"	706	703	0.00
28	A"	285	283	0.83
29	A"	189	188	0.51
30	A"	137	137	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	1.955	-1.719	0.000
H2	2.487	-2.680	0.000
H3	2.278	-1.159	0.890
H4	2.278	-1.159	-0.890
C5	0.432	-1.951	0.000
H6	0.152	-2.564	-0.876
H7	0.152	-2.564	0.876
C8	0.000	0.546	0.000
Cl9	-1.090	1.952	0.000
H10	1.042	0.851	0.000
C11	-0.444	-0.713	0.000
H12	-1.523	-0.889	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0988	1.0998	1.0998	1.5408	2.1750	2.1750	2.9917	4.7692	2.7273	2.6014	3.5756
H2	1.0988		1.7747	1.7747	2.1810	2.4965	2.4965	4.0734	5.8525	3.8155	3.5303	4.3921
H3	1.0998	1.7747		1.7796	2.1972	3.1000	2.5481	2.9811	4.6702	2.5218	2.8985	3.9132
H4	1.0998	1.7747	1.7796		2.1972	2.5481	3.1000	2.9811	4.6702	2.5218	2.8985	3.9132
C5	1.5408	2.1810	2.1972	2.1972		1.1048	1.1048	2.5339	4.1892	2.8679	1.5164	2.2246
H6	2.1750	2.4965	3.1000	2.5481	1.1048		1.7515	3.2343	4.7650	3.6362	2.1326	2.5257
H7	2.1750	2.4965	2.5481	3.1000	1.1048	1.7515		3.2343	4.7650	3.6362	2.1326	2.5257
C8	2.9917	4.0734	2.9811	2.9811	2.5339	3.2343	3.2343		1.7790	1.0859	1.3351	2.0925
Cl9	4.7692	5.8525	4.6702	4.6702	4.1892	4.7650	4.7650	1.7790		2.3992	2.7424	2.8742
H10	2.7273	3.8155	2.5218	2.5218	2.8679	3.6362	3.6362	1.0859	2.3992		2.1580	3.0998
C11	2.6014	3.5303	2.8985	2.8985	1.5164	2.1326	2.1326	1.3351	2.7424	2.1580		1.0930
H12	3.5756	4.3921	3.9132	3.9132	2.2246	2.5257	2.5257	2.0925	2.8742	3.0998	1.0930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.488	C1	C5	H7	109.488
C1	C5	C11	116.622	H2	C1	H3	107.640
H2	C1	H4	107.640	H2	C1	C5	110.313
H3	C1	H4	107.999	H3	C1	C5	111.539
H4	C1	C5	111.539	C5	C11	C8	125.273
C5	C11	H12	116.031	H6	C5	H7	104.864
H6	C5	C11	107.863	H7	C5	C11	107.863
C8	C11	H12	118.696	Cl9	C8	H10	111.433
Cl9	C8	C11	122.799	H10	C8	C11	125.768

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	-0.317
2	H	0.109
3	H	0.112
4	H	0.112
5	C	-0.181
6	H	0.119
7	H	0.119
8	C	-0.207
9	Cl	-0.076
10	H	0.155
11	C	-0.058
12	H	0.115

	x	y	z	Total
	1.073	-2.064	0.000	2.326
CHELPG
AIM
ESP

	x	y	z
x	8.494	-1.714	0.000
y	-1.714	12.037	0.000
z	0.000	0.000	5.501

<r²>	227.840
(<r²>)^1/2	15.094

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)