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	hartrees
Energy at 0K	-33.961941
Energy at 298.15K	-33.966944
Nuclear repulsion energy	59.220341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3456	3115	27.88
2	A'	3355	3025	35.73
3	A'	3339	3010	4.71
4	A'	3217	2900	48.64
5	A'	1848	1666	16.58
6	A'	1623	1463	9.13
7	A'	1573	1417	2.61
8	A'	1458	1314	60.61
9	A'	1357	1223	0.84
10	A'	1199	1081	0.12
11	A'	1007	908	18.00
12	A'	761	686	62.88
13	A'	577	520	5.49
14	A'	237	214	1.44
15	A"	3281	2958	58.52
16	A"	1628	1468	16.43
17	A"	1191	1073	1.51
18	A"	1068	963	3.83
19	A"	791	713	94.95
20	A"	425	383	1.71
21	A"	111	100	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.947	0.000
C2	-1.260	0.474	0.000
C3	-1.706	-0.976	0.000
Cl4	1.475	-0.110	0.000
H5	0.266	1.988	0.000
H6	-2.037	1.226	0.000
H7	-0.867	-1.664	0.000
H8	-2.319	-1.177	0.879
H9	-2.319	-1.177	-0.879

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3455	2.5705	1.8139	1.0743	2.0563	2.7506	3.2654	3.2654
C2	1.3455		1.5169	2.7956	2.1493	1.0820	2.1730	2.1498	2.1498
C3	2.5705	1.5169		3.2961	3.5598	2.2268	1.0845	1.0908	1.0908
Cl4	1.8139	2.7956	3.2961		2.4205	3.7572	2.8101	4.0377	4.0377
H5	1.0743	2.1493	3.5598	2.4205		2.4261	3.8229	4.1800	4.1800
H6	2.0563	1.0820	2.2268	3.7572	2.4261		3.1174	2.5745	2.5745
H7	2.7506	2.1730	1.0845	2.8101	3.8229	3.1174		1.7658	1.7658
H8	3.2654	2.1498	1.0908	4.0377	4.1800	2.5745	1.7658		1.7590
H9	3.2654	2.1498	1.0908	4.0377	4.1800	2.5745	1.7658	1.7590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.693	C1	C2	H6	115.369
C2	C1	Cl4	123.790	C2	C1	H5	124.929
C2	C3	H7	112.232	C2	C3	H8	109.976
C2	C3	H9	109.976	C3	C2	H6	116.938
Cl4	C1	H5	111.280	H7	C3	H8	108.529
H7	C3	H9	108.529	H8	C3	H9	107.465

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

using model chemistry: HF/CEP-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	-0.356
2	C	-0.027
3	C	-0.368
4	Cl	-0.091
5	H	0.229
6	H	0.215
7	H	0.162
8	H	0.118
9	H	0.118

	x	y	z	Total
	-2.688	0.811	0.000	2.807
CHELPG
AIM
ESP

	x	y	z
x	8.756	-0.031	0.000
y	-0.031	5.260	0.000
z	0.000	0.000	2.895

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/CEP-31G

States and conformations

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