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	hartrees
Energy at 0K	-616.485006
Energy at 298.15K	-616.492198
Nuclear repulsion energy	203.747018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3103	8.38
2	A'	3202	3045	7.60
3	A'	3159	3004	26.43
4	A'	3073	2923	18.65
5	A'	3046	2897	26.20
6	A'	1736	1651	15.00
7	A'	1536	1460	5.68
8	A'	1501	1428	2.49
9	A'	1441	1370	10.06
10	A'	1396	1328	16.81
11	A'	1337	1272	1.41
12	A'	1278	1216	5.13
13	A'	1127	1071	2.20
14	A'	1057	1005	7.19
15	A'	914	869	8.80
16	A'	857	815	63.25
17	A'	528	502	2.31
18	A'	332	315	0.93
19	A'	185	176	0.44
20	A"	3149	2995	28.00
21	A"	3074	2924	14.10
22	A"	1527	1452	8.17
23	A"	1306	1242	0.05
24	A"	1116	1061	1.45
25	A"	982	934	40.94
26	A"	838	797	8.31
27	A"	734	698	0.53
28	A"	301	286	0.85
29	A"	201	191	0.44
30	A"	151	144	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	1.932	-1.691	0.000
H2	2.443	-2.656	0.000
H3	2.240	-1.137	0.889
H4	2.240	-1.137	-0.889
C5	0.411	-1.902	0.000
H6	0.155	-2.493	-0.884
H7	0.155	-2.493	0.884
C8	0.000	0.578	0.000
Cl9	-1.070	1.891	0.000
H10	1.018	0.805	0.000
C11	-0.440	-0.686	0.000
H12	-1.481	-0.831	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0925	1.0914	1.0914	1.5360	2.1411	2.1411	2.9801	4.6735	2.6584	2.5761	3.5198
H2	1.0925		1.7714	1.7714	2.1683	2.4592	2.4592	4.0536	5.7464	3.7437	3.4923	4.3284
H3	1.0914	1.7714		1.7771	2.1732	3.0548	2.4877	2.9584	4.5737	2.4614	2.8599	3.8384
H4	1.0914	1.7714	1.7771		2.1732	2.4877	3.0548	2.9584	4.5737	2.4614	2.8599	3.8384
C5	1.5360	2.1683	2.1732	2.1732		1.0940	1.0940	2.5139	4.0718	2.7747	1.4838	2.1740
H6	2.1411	2.4592	3.0548	2.4877	1.0940		1.7685	3.1997	4.6371	3.5224	2.0976	2.4943
H7	2.1411	2.4592	2.4877	3.0548	1.0940	1.7685		3.1997	4.6371	3.5224	2.0976	2.4943
C8	2.9801	4.0536	2.9584	2.9584	2.5139	3.1997	3.1997		1.6936	1.0429	1.3390	2.0440
Cl9	4.6735	5.7464	4.5737	4.5737	4.0718	4.6371	4.6371	1.6936		2.3530	2.6534	2.7527
H10	2.6584	3.7437	2.4614	2.4614	2.7747	3.5224	3.5224	1.0429	2.3530		2.0860	2.9868
C11	2.5761	3.4923	2.8599	2.8599	1.4838	2.0976	2.0976	1.3390	2.6534	2.0860		1.0508
H12	3.5198	4.3284	3.8384	3.8384	2.1740	2.4943	2.4943	2.0440	2.7527	2.9868	1.0508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	107.818	C1	C5	H7	107.818
C1	C5	C11	117.088	H2	C1	H3	108.413
H2	C1	H4	108.413	H2	C1	C5	110.018
H3	C1	H4	109.008	H3	C1	C5	110.466
H4	C1	C5	110.466	C5	C11	C8	125.817
C5	C11	H12	117.102	H6	C5	H7	107.860
H6	C5	C11	107.969	H7	C5	C11	107.969
C8	C11	H12	117.081	Cl9	C8	H10	116.580
Cl9	C8	C11	121.639	H10	C8	C11	121.781

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

using model chemistry: HSEh1PBE/6-31G*

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	-0.533
2	H	0.179
3	H	0.179
4	H	0.179
5	C	-0.354
6	H	0.185
7	H	0.185
8	C	-0.313
9	Cl	-0.018
10	H	0.212
11	C	-0.084
12	H	0.182

	x	y	z	Total
	1.005	-1.966	0.000	2.208
CHELPG
AIM
ESP

	x	y	z
x	7.432	-1.266	0.000
y	-1.266	10.779	0.000
z	0.000	0.000	4.920

<r²>	220.190
(<r²>)^1/2	14.839

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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