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	hartrees
Energy at 0K	-616.419014
Energy at 298.15K	-616.426067
Nuclear repulsion energy	201.886460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	3133	7.45
2	A'	3097	3079	6.80
3	A'	3061	3043	22.69
4	A'	2974	2957	19.19
5	A'	2944	2927	27.07
6	A'	1652	1643	14.06
7	A'	1432	1424	4.13
8	A'	1393	1384	3.77
9	A'	1351	1343	7.36
10	A'	1317	1309	16.22
11	A'	1261	1254	0.48
12	A'	1192	1185	5.84
13	A'	1085	1079	4.19
14	A'	1010	1004	8.61
15	A'	883	878	10.07
16	A'	815	810	61.12
17	A'	510	507	2.59
18	A'	318	316	0.92
19	A'	176	175	0.30
20	A"	3053	3035	23.22
21	A"	2969	2951	12.80
22	A"	1422	1413	6.56
23	A"	1237	1230	0.06
24	A"	1052	1046	1.51
25	A"	928	923	33.40
26	A"	792	788	8.67
27	A"	699	695	0.36
28	A"	294	293	0.82
29	A"	194	193	0.73
30	A"	151	150	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	1.924	-1.709	0.000
H2	2.470	-2.673	0.000
H3	2.248	-1.141	0.896
H4	2.248	-1.141	-0.896
C5	0.413	-1.945	0.000
H6	0.129	-2.565	-0.881
H7	0.129	-2.565	0.881
C8	0.000	0.549	0.000
Cl9	-1.061	1.944	0.000
H10	1.062	0.830	0.000
C11	-0.456	-0.714	0.000
H12	-1.546	-0.878	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.1077	1.1095	1.1095	1.5291	2.1753	2.1753	2.9664	4.7172	2.6811	2.5794	3.5684
H2	1.1077		1.7885	1.7885	2.1820	2.5037	2.5037	4.0596	5.8120	3.7750	3.5209	4.3991
H3	1.1095	1.7885		1.7922	2.1947	3.1111	2.5538	2.9519	4.6118	2.4687	2.8806	3.9079
H4	1.1095	1.7885	1.7922		2.1947	2.5538	3.1111	2.9519	4.6118	2.4687	2.8806	3.9079
C5	1.5291	2.1820	2.1947	2.1947		1.1145	1.1145	2.5275	4.1586	2.8492	1.5064	2.2309
H6	2.1753	2.5037	3.1111	2.5538	1.1145		1.7615	3.2391	4.7462	3.6296	2.1318	2.5355
H7	2.1753	2.5037	2.5538	3.1111	1.1145	1.7615		3.2391	4.7462	3.6296	2.1318	2.5355
C8	2.9664	4.0596	2.9519	2.9519	2.5275	3.2391	3.2391		1.7525	1.0983	1.3429	2.1044
Cl9	4.7172	5.8120	4.6118	4.6118	4.1586	4.7462	4.7462	1.7525		2.3970	2.7262	2.8639
H10	2.6811	3.7750	2.4687	2.4687	2.8492	3.6296	3.6296	1.0983	2.3970		2.1650	3.1177
C11	2.5794	3.5209	2.8806	2.8806	1.5064	2.1318	2.1318	1.3429	2.7262	2.1650		1.1028
H12	3.5684	4.3991	3.9079	3.9079	2.2309	2.5355	2.5355	2.1044	2.8639	3.1177	1.1028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.752	C1	C5	H7	109.752
C1	C5	C11	116.367	H2	C1	H3	107.538
H2	C1	H4	107.538	H2	C1	C5	110.671
H3	C1	H4	107.746	H3	C1	C5	111.577
H4	C1	C5	111.577	C5	C11	C8	124.921
C5	C11	H12	116.676	H6	C5	H7	104.429
H6	C5	C11	107.928	H7	C5	C11	107.928
C8	C11	H12	118.402	Cl9	C8	H10	112.424
Cl9	C8	C11	122.915	H10	C8	C11	124.662

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.070
2	H	0.034
3	H	0.045
4	H	0.045
5	C	-0.047
6	H	0.046
7	H	0.046
8	C	-0.111
9	Cl	-0.072
10	H	0.047
11	C	0.031
12	H	0.005

	x	y	z	Total
	0.958	-1.795	0.000	2.034
CHELPG
AIM
ESP

	x	y	z
x	8.255	-1.499	0.000
y	-1.499	11.619	0.000
z	0.000	0.000	5.289

<r²>	224.052
(<r²>)^1/2	14.968

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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