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	hartrees
Energy at 0K	-575.772002
Energy at 298.15K	-575.776827
Nuclear repulsion energy	147.399668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3108	4.43
2	A'	3081	3047	4.20
3	A'	3058	3024	1.33
4	A'	2961	2929	10.69
5	A'	1681	1662	21.73
6	A'	1400	1384	6.57
7	A'	1343	1328	14.60
8	A'	1286	1272	27.47
9	A'	1196	1183	0.70
10	A'	1065	1053	2.28
11	A'	934	924	23.05
12	A'	771	763	48.72
13	A'	562	556	0.60
14	A'	226	223	1.22
15	A"	3020	2987	4.58
16	A"	1402	1386	9.14
17	A"	1007	996	0.47
18	A"	912	902	0.43
19	A"	679	671	51.73
20	A"	404	399	2.92
21	A"	118	117	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.918	0.000
C2	-1.231	0.429	0.000
C3	-1.604	-0.993	0.000
Cl4	1.410	-0.068	0.000
H5	0.226	1.983	0.000
H6	-2.034	1.174	0.000
H7	-0.714	-1.637	0.000
H8	-2.216	-1.243	0.881
H9	-2.216	-1.243	-0.881

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3245	2.4950	1.7203	1.0894	2.0503	2.6521	3.2182	3.2182
C2	1.3245		1.4705	2.6876	2.1303	1.0951	2.1295	2.1317	2.1317
C3	2.4950	1.4705		3.1532	3.4942	2.2091	1.0983	1.1014	1.1014
Cl4	1.7203	2.6876	3.1532		2.3684	3.6612	2.6406	3.9121	3.9121
H5	1.0894	2.1303	3.4942	2.3684		2.4008	3.7400	4.1413	4.1413
H6	2.0503	1.0951	2.2091	3.6612	2.4008		3.1048	2.5792	2.5792
H7	2.6521	2.1295	1.0983	2.6406	3.7400	3.1048		1.7848	1.7848
H8	3.2182	2.1317	1.1014	3.9121	4.1413	2.5792	1.7848		1.7625
H9	3.2182	2.1317	1.1014	3.9121	4.1413	2.5792	1.7848	1.7625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.336	C1	C2	H6	115.533
C2	C1	Cl4	123.413	C2	C1	H5	123.605
C2	C3	H7	111.158	C2	C3	H8	111.145
C2	C3	H9	111.145	C3	C2	H6	118.131
Cl4	C1	H5	112.982	H7	C3	H8	108.466
H7	C3	H9	108.466	H8	C3	H9	106.283

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(Z))

using model chemistry: LSDA/cc-pVTZ

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	-0.139
2	C	-0.128
3	C	-0.309
4	Cl	-0.073
5	H	0.140
6	H	0.140
7	H	0.115
8	H	0.126
9	H	0.126

	x	y	z	Total
	-1.524	0.350	0.000	1.563
CHELPG
AIM
ESP

	x	y	z
x	9.931	0.425	0.000
y	0.425	7.203	0.000
z	0.000	0.000	4.825

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H5Cl (1-chloro-1-propene(Z))

using model chemistry: LSDA/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(Z))