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	hartrees
Energy at 0K	-616.809697
Energy at 298.15K	-616.816775
HF Energy	-616.809697
Nuclear repulsion energy	202.402857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3130	8.28
2	A'	3104	3060	9.10
3	A'	3059	3015	35.12
4	A'	2986	2943	24.80
5	A'	2954	2912	31.83
6	A'	1648	1624	17.22
7	A'	1486	1464	4.94
8	A'	1447	1426	3.12
9	A'	1392	1372	6.07
10	A'	1348	1329	22.26
11	A'	1302	1283	1.19
12	A'	1237	1219	6.51
13	A'	1079	1063	0.53
14	A'	1029	1014	7.15
15	A'	869	857	7.07
16	A'	795	783	71.18
17	A'	509	502	5.48
18	A'	323	318	1.23
19	A'	183	180	0.44
20	A"	3052	3008	34.87
21	A"	2973	2930	14.74
22	A"	1479	1458	8.26
23	A"	1270	1252	0.31
24	A"	1084	1068	1.66
25	A"	940	926	42.15
26	A"	809	798	7.71
27	A"	710	700	0.05
28	A"	295	290	0.92
29	A"	193	190	0.76
30	A"	139	137	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	1.931	-1.699	0.000
H2	2.470	-2.652	0.000
H3	2.246	-1.137	0.887
H4	2.246	-1.137	-0.887
C5	0.421	-1.941	0.000
H6	0.146	-2.552	-0.873
H7	0.146	-2.552	0.873
C8	0.000	0.539	0.000
Cl9	-1.070	1.939	0.000
H10	1.044	0.827	0.000
C11	-0.450	-0.713	0.000
H12	-1.526	-0.883	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0950	1.0961	1.0961	1.5295	2.1631	2.1631	2.9559	4.7162	2.6770	2.5768	3.5520
H2	1.0950		1.7699	1.7699	2.1691	2.4852	2.4852	4.0354	5.7976	3.7599	3.5049	4.3700
H3	1.0961	1.7699		1.7738	2.1825	3.0843	2.5327	2.9393	4.6091	2.4672	2.8692	3.8831
H4	1.0961	1.7699	1.7738		2.1825	2.5327	3.0843	2.9393	4.6091	2.4672	2.8692	3.8831
C5	1.5295	2.1691	2.1825	2.1825		1.1009	1.1009	2.5154	4.1567	2.8373	1.5050	2.2156
H6	2.1631	2.4852	3.0843	2.5327	1.1009		1.7467	3.2153	4.7341	3.6040	2.1209	2.5182
H7	2.1631	2.4852	2.5327	3.0843	1.1009	1.7467		3.2153	4.7341	3.6040	2.1209	2.5182
C8	2.9559	4.0354	2.9393	2.9393	2.5154	3.2153	3.2153		1.7622	1.0834	1.3305	2.0861
Cl9	4.7162	5.7976	4.6091	4.6091	4.1567	4.7341	4.7341	1.7622		2.3890	2.7240	2.8593
H10	2.6770	3.7599	2.4672	2.4672	2.8373	3.6040	3.6040	1.0834	2.3890		2.1459	3.0876
C11	2.5768	3.5049	2.8692	2.8692	1.5050	2.1209	2.1209	1.3305	2.7240	2.1459		1.0897
H12	3.5520	4.3700	3.8831	3.8831	2.2156	2.5182	2.5182	2.0861	2.8593	3.0876	1.0897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.563	C1	C5	H7	109.563
C1	C5	C11	116.238	H2	C1	H3	107.757
H2	C1	H4	107.757	H2	C1	C5	110.379
H3	C1	H4	108.020	H3	C1	C5	111.387
H4	C1	C5	111.387	C5	C11	C8	124.903
C5	C11	H12	116.358	H6	C5	H7	104.985
H6	C5	C11	107.944	H7	C5	C11	107.944
C8	C11	H12	118.739	Cl9	C8	H10	111.963
Cl9	C8	C11	122.864	H10	C8	C11	125.173

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

using model chemistry: B97D3/TZVP

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	-0.378
2	H	0.120
3	H	0.119
4	H	0.119
5	C	-0.148
6	H	0.114
7	H	0.114
8	C	-0.101
9	Cl	-0.102
10	H	0.166
11	C	-0.151
12	H	0.129

	x	y	z	Total
	1.020	-1.936	0.000	2.188
CHELPG
AIM
ESP

	x	y	z
x	8.695	-1.475	0.000
y	-1.475	12.083	0.000
z	0.000	0.000	6.322

<r²>	223.722
(<r²>)^1/2	14.957

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

using model chemistry: B97D3/TZVP

States and conformations

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