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	hartrees
Energy at 0K	-575.632786
Energy at 298.15K	-575.637615
Nuclear repulsion energy	144.544562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3145	3.83
2	A'	3105	3042	6.88
3	A'	3089	3026	1.97
4	A'	2981	2920	13.22
5	A'	1715	1680	20.97
6	A'	1462	1432	9.17
7	A'	1400	1372	18.88
8	A'	1317	1290	34.29
9	A'	1234	1209	0.72
10	A'	1089	1067	0.53
11	A'	964	944	24.40
12	A'	730	715	56.62
13	A'	552	541	2.53
14	A'	227	222	1.62
15	A"	3051	2989	9.41
16	A"	1465	1435	16.75
17	A"	1051	1029	0.23
18	A"	930	911	1.89
19	A"	703	689	73.48
20	A"	403	395	3.47
21	A"	120	118	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.945	0.000
C2	-1.247	0.478	0.000
C3	-1.663	-0.942	0.000
Cl4	1.445	-0.127	0.000
H5	0.285	1.998	0.000
H6	-2.038	1.242	0.000
H7	-0.790	-1.615	0.000
H8	-2.282	-1.177	0.886
H9	-2.282	-1.177	-0.886

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3315	2.5156	1.7995	1.0904	2.0591	2.6789	3.2401	3.2401
C2	1.3315		1.4797	2.7590	2.1577	1.0999	2.1419	2.1441	2.1441
C3	2.5156	1.4797		3.2134	3.5266	2.2163	1.1025	1.1061	1.1061
Cl4	1.7995	2.7590	3.2134		2.4209	3.7422	2.6847	3.9723	3.9723
H5	1.0904	2.1577	3.5266	2.4209		2.4421	3.7688	4.1780	4.1780
H6	2.0591	1.0999	2.2163	3.7422	2.4421		3.1177	2.5886	2.5886
H7	2.6789	2.1419	1.1025	2.6847	3.7688	3.1177		1.7897	1.7897
H8	3.2401	2.1441	1.1061	3.9723	4.1780	2.5886	1.7897		1.7724
H9	3.2401	2.1441	1.1061	3.9723	4.1780	2.5886	1.7897	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.893	C1	C2	H6	115.421
C2	C1	Cl4	122.878	C2	C1	H5	125.690
C2	C3	H7	111.251	C2	C3	H8	111.204
C2	C3	H9	111.204	C3	C2	H6	117.686
Cl4	C1	H5	111.432	H7	C3	H8	108.252
H7	C3	H9	108.252	H8	C3	H9	106.491

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

using model chemistry: LSDA/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	-0.408
2	C	-0.032
3	C	-0.569
4	Cl	0.048
5	H	0.206
6	H	0.174
7	H	0.199
8	H	0.191
9	H	0.191

	x	y	z	Total
	-2.044	0.627	0.000	2.138
CHELPG
AIM
ESP

	x	y	z
x	8.817	0.071	0.000
y	0.071	5.892	0.000
z	0.000	0.000	3.179

<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/6-31G

States and conformations

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