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	hartrees
Energy at 0K	-613.759712
Energy at 298.15K	-613.766730
Nuclear repulsion energy	200.517500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3147	7.45
2	A'	3091	3071	6.64
3	A'	3041	3021	29.41
4	A'	2979	2960	17.00
5	A'	2947	2928	21.55
6	A'	1634	1624	15.31
7	A'	1537	1527	5.95
8	A'	1497	1488	2.20
9	A'	1425	1416	6.01
10	A'	1355	1347	22.71
11	A'	1325	1316	5.12
12	A'	1255	1247	3.72
13	A'	1070	1063	0.29
14	A'	1027	1021	1.66
15	A'	844	838	5.82
16	A'	772	767	64.75
17	A'	501	498	5.25
18	A'	319	317	1.65
19	A'	181	179	0.46
20	A"	3040	3020	31.39
21	A"	2964	2944	12.75
22	A"	1533	1523	6.94
23	A"	1304	1295	0.00
24	A"	1109	1102	0.92
25	A"	948	942	46.89
26	A"	826	820	12.61
27	A"	721	717	0.17
28	A"	284	282	0.86
29	A"	190	189	0.49
30	A"	132	131	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	1.967	-1.691	0.000
H2	2.519	-2.644	0.000
H3	2.265	-1.120	0.896
H4	2.265	-1.120	-0.896
C5	0.437	-1.962	0.000
H6	0.174	-2.574	-0.885
H7	0.174	-2.574	0.885
C8	0.000	0.540	0.000
Cl9	-1.096	1.947	0.000
H10	1.047	0.832	0.000
C11	-0.451	-0.720	0.000
H12	-1.530	-0.902	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.1021	1.1026	1.1026	1.5538	2.1863	2.1863	2.9737	4.7558	2.6850	2.6053	3.5849
H2	1.1021		1.7857	1.7857	2.1910	2.5082	2.5082	4.0601	5.8442	3.7750	3.5390	4.4083
H3	1.1026	1.7857		1.7912	2.2025	3.1073	2.5466	2.9474	4.6378	2.4691	2.8873	3.9051
H4	1.1026	1.7857	1.7912		2.2025	2.5466	3.1073	2.9474	4.6378	2.4691	2.8873	3.9051
C5	1.5538	2.1910	2.2025	2.2025		1.1074	1.1074	2.5399	4.1996	2.8600	1.5271	2.2348
H6	2.1863	2.5082	3.1073	2.5466	1.1074		1.7699	3.2411	4.7784	3.6254	2.1468	2.5455
H7	2.1863	2.5082	2.5466	3.1073	1.1074	1.7699		3.2411	4.7784	3.6254	2.1468	2.5455
C8	2.9737	4.0601	2.9474	2.9474	2.5399	3.2411	3.2411		1.7841	1.0872	1.3377	2.1021
Cl9	4.7558	5.8442	4.6378	4.6378	4.1996	4.7784	4.7784	1.7841		2.4162	2.7441	2.8820
H10	2.6850	3.7750	2.4691	2.4691	2.8600	3.6254	3.6254	1.0872	2.4162		2.1567	3.1060
C11	2.6053	3.5390	2.8873	2.8873	1.5271	2.1468	2.1468	1.3377	2.7441	2.1567		1.0946
H12	3.5849	4.4083	3.9051	3.9051	2.2348	2.5455	2.5455	2.1021	2.8820	3.1060	1.0946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.332	C1	C5	H7	109.332
C1	C5	C11	115.476	H2	C1	H3	108.186
H2	C1	H4	108.186	H2	C1	C5	110.002
H3	C1	H4	108.637	H3	C1	C5	110.872
H4	C1	C5	110.872	C5	C11	C8	124.763
C5	C11	H12	115.977	H6	C5	H7	106.094
H6	C5	C11	108.097	H7	C5	C11	108.097
C8	C11	H12	119.260	Cl9	C8	H10	112.313
Cl9	C8	C11	122.403	H10	C8	C11	125.284

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

using model chemistry: BLYP/3-21G*

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	-0.529
2	H	0.183
3	H	0.185
4	H	0.185
5	C	-0.395
6	H	0.198
7	H	0.198
8	C	-0.299
9	Cl	-0.018
10	H	0.216
11	C	-0.115
12	H	0.191

	x	y	z	Total
	1.090	-1.988	0.000	2.267
CHELPG
AIM
ESP

<r²>	227.107
(<r²>)^1/2	15.070

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

using model chemistry: BLYP/3-21G*

States and conformations

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