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	hartrees
Energy at 0K	-616.908423
Energy at 298.15K	-616.915597
Nuclear repulsion energy	203.369437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3105	6.99
2	A'	3145	3041	5.79
3	A'	3092	2990	30.14
4	A'	3027	2927	20.10
5	A'	2998	2899	25.30
6	A'	1687	1631	13.24
7	A'	1510	1460	4.93
8	A'	1477	1428	3.60
9	A'	1419	1372	5.43
10	A'	1376	1330	19.07
11	A'	1329	1285	1.92
12	A'	1262	1220	6.63
13	A'	1099	1062	0.70
14	A'	1044	1010	6.55
15	A'	883	854	7.33
16	A'	827	800	60.31
17	A'	522	505	3.87
18	A'	328	317	0.71
19	A'	182	176	0.41
20	A"	3087	2985	28.44
21	A"	3013	2914	10.84
22	A"	1505	1455	7.89
23	A"	1292	1249	0.31
24	A"	1108	1071	2.15
25	A"	975	943	37.66
26	A"	843	815	6.28
27	A"	736	711	0.36
28	A"	294	284	0.79
29	A"	199	192	0.55
30	A"	147	142	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	1.914	-1.713	0.000
H2	2.438	-2.669	0.000
H3	2.237	-1.159	0.883
H4	2.237	-1.159	-0.883
C5	0.404	-1.935	0.000
H6	0.122	-2.539	-0.869
H7	0.122	-2.539	0.869
C8	0.000	0.545	0.000
Cl9	-1.051	1.936	0.000
H10	1.043	0.821	0.000
C11	-0.452	-0.699	0.000
H12	-1.524	-0.862	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0900	1.0910	1.0910	1.5265	2.1563	2.1563	2.9601	4.7021	2.6792	2.5740	3.5421
H2	1.0900		1.7603	1.7603	2.1624	2.4768	2.4768	4.0338	5.7775	3.7580	3.4972	4.3547
H3	1.0910	1.7603		1.7652	2.1778	3.0737	2.5258	2.9476	4.6016	2.4749	2.8674	3.8751
H4	1.0910	1.7603	1.7652		2.1778	2.5258	3.0737	2.9476	4.6016	2.4749	2.8674	3.8751
C5	1.5265	2.1624	2.1778	2.1778		1.0954	1.0954	2.5125	4.1354	2.8286	1.5032	2.2066
H6	2.1563	2.4768	3.0737	2.5258	1.0954		1.7382	3.2067	4.7075	3.5904	2.1146	2.5059
H7	2.1563	2.4768	2.5258	3.0737	1.0954	1.7382		3.2067	4.7075	3.5904	2.1146	2.5059
C8	2.9601	4.0338	2.9476	2.9476	2.5125	3.2067	3.2067		1.7437	1.0786	1.3233	2.0741
Cl9	4.7021	5.7775	4.6016	4.6016	4.1354	4.7075	4.7075	1.7437		2.3727	2.7022	2.8374
H10	2.6792	3.7580	2.4749	2.4749	2.8286	3.5904	3.5904	1.0786	2.3727		2.1312	3.0691
C11	2.5740	3.4972	2.8674	2.8674	1.5032	2.1146	2.1146	1.3233	2.7022	2.1312		1.0848
H12	3.5421	4.3547	3.8751	3.8751	2.2066	2.5059	2.5059	2.0741	2.8374	3.0691	1.0848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.553	C1	C5	H7	109.553
C1	C5	C11	116.328	H2	C1	H3	107.633
H2	C1	H4	107.633	H2	C1	C5	110.353
H3	C1	H4	107.993	H3	C1	C5	111.528
H4	C1	C5	111.528	C5	C11	C8	125.354
C5	C11	H12	116.053	H6	C5	H7	105.007
H6	C5	C11	107.895	H7	C5	C11	107.895
C8	C11	H12	118.594	Cl9	C8	H10	112.279
Cl9	C8	C11	122.959	H10	C8	C11	124.762

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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	-0.584
2	H	0.144
3	H	0.167
4	H	0.167
5	C	-0.084
6	H	0.150
7	H	0.150
8	C	-0.346
9	Cl	-0.228
10	H	0.149
11	C	0.172
12	H	0.143

	x	y	z	Total
	1.002	-1.959	0.000	2.201
CHELPG
AIM
ESP

	x	y	z
x	9.406	-1.432	0.000
y	-1.432	12.640	0.000
z	0.000	0.000	7.284

<r²>	222.399
(<r²>)^1/2	14.913

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

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

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