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	hartrees
Energy at 0K	-615.097308
Energy at 298.15K	-615.104766
HF Energy	-615.097308
Nuclear repulsion energy	204.258790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3387	3070	10.17
2	A'	3307	2998	7.52
3	A'	3226	2924	47.68
4	A'	3165	2868	22.03
5	A'	3150	2855	36.71
6	A'	1839	1667	12.66
7	A'	1625	1473	3.13
8	A'	1600	1450	1.67
9	A'	1543	1398	6.94
10	A'	1500	1359	19.69
11	A'	1437	1302	2.81
12	A'	1373	1244	9.90
13	A'	1180	1069	0.13
14	A'	1112	1008	5.71
15	A'	934	846	5.74
16	A'	892	809	63.23
17	A'	558	505	5.82
18	A'	348	316	0.77
19	A'	195	177	0.53
20	A"	3225	2923	48.15
21	A"	3167	2871	15.19
22	A"	1617	1466	6.89
23	A"	1401	1270	0.62
24	A"	1212	1098	3.36
25	A"	1080	979	43.47
26	A"	931	844	5.45
27	A"	800	725	0.40
28	A"	316	287	0.60
29	A"	214	194	0.39
30	A"	155	140	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	1.925	-1.718	0.000
H2	2.429	-2.676	0.000
H3	2.254	-1.175	0.877
H4	2.254	-1.175	-0.877
C5	0.415	-1.919	0.000
H6	0.132	-2.515	-0.863
H7	0.132	-2.515	0.863
C8	0.000	0.552	0.000
Cl9	-1.067	1.921	0.000
H10	1.029	0.831	0.000
C11	-0.438	-0.679	0.000
H12	-1.501	-0.833	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.0822	1.0829	1.0829	1.5234	2.1437	2.1437	2.9765	4.7110	2.7026	2.5812	3.5381
H2	1.0822		1.7473	1.7473	2.1512	2.4591	2.4591	4.0397	5.7749	3.7765	3.4935	4.3400
H3	1.0829	1.7473		1.7545	2.1691	3.0541	2.5097	2.9719	4.6240	2.5092	2.8741	3.8707
H4	1.0829	1.7473	1.7545		2.1691	2.5097	3.0541	2.9719	4.6240	2.5092	2.8741	3.8707
C5	1.5234	2.1512	2.1691	2.1691		1.0863	1.0863	2.5060	4.1160	2.8184	1.5051	2.2020
H6	2.1437	2.4591	3.0541	2.5097	1.0863		1.7263	3.1889	4.6752	3.5705	2.1071	2.4976
H7	2.1437	2.4591	2.5097	3.0541	1.0863	1.7263		3.1889	4.6752	3.5705	2.1071	2.4976
C8	2.9765	4.0397	2.9719	2.9719	2.5060	3.1889	3.1889		1.7354	1.0660	1.3068	2.0424
Cl9	4.7110	5.7749	4.6240	4.6240	4.1160	4.6752	4.6752	1.7354		2.3619	2.6749	2.7879
H10	2.7026	3.7765	2.5092	2.5092	2.8184	3.5705	3.5705	1.0660	2.3619		2.1055	3.0281
C11	2.5812	3.4935	2.8741	2.8741	1.5051	2.1071	2.1071	1.3068	2.6749	2.1055		1.0739
H12	3.5381	4.3400	3.8707	3.8707	2.2020	2.4976	2.4976	2.0424	2.7879	3.0281	1.0739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.319	C1	C5	H7	109.319
C1	C5	C11	116.929	H2	C1	H3	107.612
H2	C1	H4	107.612	H2	C1	C5	110.154
H3	C1	H4	108.209	H3	C1	C5	111.543
H4	C1	C5	111.543	C5	C11	C8	125.906
C5	C11	H12	116.263	H6	C5	H7	105.228
H6	C5	C11	107.704	H7	C5	C11	107.704
C8	C11	H12	117.831	Cl9	C8	H10	112.749
Cl9	C8	C11	122.480	H10	C8	C11	124.772

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

using model chemistry: HF/Def2TZVPP

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	-0.191
2	H	0.068
3	H	0.057
4	H	0.057
5	C	0.025
6	H	0.044
7	H	0.044
8	C	0.017
9	Cl	-0.125
10	H	0.071
11	C	-0.138
12	H	0.070

	x	y	z	Total
	1.080	-2.069	0.000	2.333
CHELPG
AIM
ESP

	x	y	z
x	8.318	-1.146	0.000
y	-1.146	11.438	0.000
z	0.000	0.000	6.386

<r²>	221.183
(<r²>)^1/2	14.872

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

using model chemistry: HF/Def2TZVPP

States and conformations

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