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	hartrees
Energy at 0K	-577.293488
Energy at 298.15K	-577.287588
HF Energy	-577.518622
Nuclear repulsion energy	145.386713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3115	7.82
2	A'	3151	3041	11.03
3	A'	3135	3026	2.00
4	A'	3030	2924	18.87
5	A'	1708	1648	17.08
6	A'	1482	1430	2.97
7	A'	1413	1363	2.44
8	A'	1345	1298	36.88
9	A'	1255	1211	0.33
10	A'	1091	1053	0.49
11	A'	940	907	20.60
12	A'	747	721	48.46
13	A'	561	541	1.75
14	A'	222	215	1.17
15	A"	3077	2969	15.53
16	A"	1485	1433	5.43
17	A"	1063	1026	0.60
18	A"	953	920	0.54
19	A"	714	689	35.68
20	A"	407	393	1.84
21	A"	123	119	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.917	0.000
C2	-1.237	0.434	0.000
C3	-1.666	-0.999	0.000
Cl4	1.447	-0.068	0.000
H5	0.232	1.973	0.000
H6	-2.028	1.182	0.000
H7	-0.812	-1.678	0.000
H8	-2.283	-1.217	0.880
H9	-2.283	-1.217	-0.880

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3280	2.5389	1.7501	1.0815	2.0451	2.7195	3.2467	3.2467
C2	1.3280		1.4954	2.7299	2.1282	1.0888	2.1542	2.1431	2.1431
C3	2.5389	1.4954		3.2487	3.5266	2.2106	1.0911	1.0965	1.0965
Cl4	1.7501	2.7299	3.2487		2.3751	3.6924	2.7740	4.0007	4.0007
H5	1.0815	2.1282	3.5266	2.3751		2.3948	3.7980	4.1569	4.1569
H6	2.0451	1.0888	2.2106	3.6924	2.3948		3.1078	2.5678	2.5678
H7	2.7195	2.1542	1.0911	2.7740	3.7980	3.1078		1.7750	1.7750
H8	3.2467	2.1431	1.0965	4.0007	4.1569	2.5678	1.7750		1.7592
H9	3.2467	2.1431	1.0965	4.0007	4.1569	2.5678	1.7750	1.7592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.155	C1	C2	H6	115.447
C2	C1	Cl4	124.580	C2	C1	H5	123.533
C2	C3	H7	111.776	C2	C3	H8	110.460
C2	C3	H9	110.460	C3	C2	H6	116.398
Cl4	C1	H5	111.887	H7	C3	H8	108.545
H7	C3	H9	108.545	H8	C3	H9	106.902

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

using model chemistry: G4

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	-0.076
2	C	-0.007
3	C	-0.426
4	Cl	-0.155
5	H	0.139
6	H	0.108
7	H	0.149
8	H	0.134
9	H	0.134

	x	y	z	Total
	-1.714	0.471	0.000	1.777
CHELPG
AIM
ESP

<r²>	120.673
(<r²>)^1/2	10.985

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

using model chemistry: G4

States and conformations

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