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	hartrees
Energy at 0K	-616.390100
Energy at 298.15K	-616.397141
Nuclear repulsion energy	202.126361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3115	8.56
2	A'	3106	3054	8.74
3	A'	3070	3019	26.16
4	A'	2989	2939	19.17
5	A'	2951	2902	27.20
6	A'	1662	1635	15.58
7	A'	1491	1467	5.59
8	A'	1453	1429	2.24
9	A'	1390	1368	7.99
10	A'	1342	1320	21.69
11	A'	1295	1273	1.14
12	A'	1236	1216	4.60
13	A'	1088	1070	2.14
14	A'	1024	1007	7.34
15	A'	884	869	8.10
16	A'	820	807	65.66
17	A'	509	501	2.37
18	A'	321	315	1.08
19	A'	178	175	0.38
20	A"	3061	3010	27.42
21	A"	2975	2926	15.12
22	A"	1482	1457	7.47
23	A"	1261	1240	0.03
24	A"	1074	1056	1.19
25	A"	938	922	37.45
26	A"	798	785	9.16
27	A"	702	690	0.19
28	A"	295	290	0.86
29	A"	194	191	0.55
30	A"	148	146	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	1.916	-1.712	0.000
H2	2.457	-2.672	0.000
H3	2.235	-1.147	0.893
H4	2.235	-1.147	-0.893
C5	0.403	-1.948	0.000
H6	0.123	-2.565	-0.878
H7	0.123	-2.565	0.878
C8	0.000	0.545	0.000
Cl9	-1.048	1.949	0.000
H10	1.058	0.816	0.000
C11	-0.463	-0.713	0.000
H12	-1.548	-0.876	0.000

	C1	H2	H3	H4	C5	H6	H7	C8	Cl9	H10	C11	H12
C1		1.1024	1.1038	1.1038	1.5314	2.1710	2.1710	2.9603	4.7101	2.6696	2.5799	3.5634
H2	1.1024		1.7815	1.7815	2.1786	2.4967	2.4967	4.0482	5.8001	3.7584	3.5165	4.3899
H3	1.1038	1.7815		1.7852	2.1901	3.0998	2.5442	2.9417	4.5997	2.4565	2.8747	3.8965
H4	1.1038	1.7815	1.7852		2.1901	2.5442	3.0998	2.9417	4.5997	2.4565	2.8747	3.8965
C5	1.5314	2.1786	2.1901	2.1901		1.1089	1.1089	2.5250	4.1579	2.8404	1.5080	2.2261
H6	2.1710	2.4967	3.0998	2.5442	1.1089		1.7563	3.2333	4.7445	3.6157	2.1312	2.5328
H7	2.1710	2.4967	2.5442	3.0998	1.1089	1.7563		3.2333	4.7445	3.6157	2.1312	2.5328
C8	2.9603	4.0482	2.9417	2.9417	2.5250	3.2333	3.2333		1.7519	1.0920	1.3403	2.1009
Cl9	4.7101	5.8001	4.5997	4.5997	4.1579	4.7445	4.7445	1.7519		2.3912	2.7253	2.8681
H10	2.6696	3.7584	2.4565	2.4565	2.8404	3.6157	3.6157	1.0920	2.3912		2.1564	3.1067
C11	2.5799	3.5165	2.8747	2.8747	1.5080	2.1312	2.1312	1.3403	2.7253	2.1564		1.0973
H12	3.5634	4.3899	3.8965	3.8965	2.2261	2.5328	2.5328	2.1009	2.8681	3.1067	1.0973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.583	C1	C5	H7	109.583
C1	C5	C11	116.167	H2	C1	H3	107.700
H2	C1	H4	107.700	H2	C1	C5	110.561
H3	C1	H4	107.931	H3	C1	C5	111.392
H4	C1	C5	111.392	C5	C11	C8	124.768
C5	C11	H12	116.515	H6	C5	H7	104.722
H6	C5	C11	108.081	H7	C5	C11	108.081
C8	C11	H12	118.717	Cl9	C8	H10	112.367
Cl9	C8	C11	123.055	H10	C8	C11	124.578

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

using model chemistry: PBEPBEultrafine/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	-0.498
2	H	0.166
3	H	0.168
4	H	0.168
5	C	-0.328
6	H	0.171
7	H	0.171
8	C	-0.294
9	Cl	-0.018
10	H	0.191
11	C	-0.057
12	H	0.159

	x	y	z	Total
	1.001	-1.925	0.000	2.170
CHELPG
AIM
ESP

	x	y	z
x	7.717	-1.450	0.000
y	-1.450	11.204	0.000
z	0.000	0.000	5.005

<r²>	223.505
(<r²>)^1/2	14.950

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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