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	hartrees
Energy at 0K	-34.031108
Energy at 298.15K	-34.036123
Nuclear repulsion energy	59.717385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3432	3082	24.31
2	A'	3354	3012	29.00
3	A'	3338	2998	5.67
4	A'	3227	2898	46.12
5	A'	1872	1681	20.63
6	A'	1610	1446	4.11
7	A'	1554	1395	0.69
8	A'	1453	1305	50.38
9	A'	1342	1205	0.08
10	A'	1183	1062	1.17
11	A'	995	893	19.41
12	A'	807	725	58.68
13	A'	590	530	1.43
14	A'	238	214	1.07
15	A"	3278	2943	49.93
16	A"	1616	1451	8.97
17	A"	1162	1043	4.17
18	A"	1047	940	1.67
19	A"	778	699	67.65
20	A"	421	378	1.71
21	A"	121	109	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.924	0.000
C2	-1.249	0.432	0.000
C3	-1.669	-1.025	0.000
Cl4	1.453	-0.057	0.000
H5	0.216	1.980	0.000
H6	-2.037	1.174	0.000
H7	-0.815	-1.696	0.000
H8	-2.280	-1.235	0.881
H9	-2.280	-1.235	-0.881

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3426	2.5657	1.7537	1.0776	2.0527	2.7437	3.2611	3.2611
C2	1.3426		1.5156	2.7462	2.1316	1.0830	2.1712	2.1484	2.1484
C3	2.5657	1.5156		3.2685	3.5469	2.2295	1.0860	1.0923	1.0923
Cl4	1.7537	2.7462	3.2685		2.3834	3.7016	2.7981	4.0123	4.0123
H5	1.0776	2.1316	3.5469	2.3834		2.3933	3.8175	4.1642	4.1642
H6	2.0527	1.0830	2.2295	3.7016	2.3933		3.1194	2.5765	2.5765
H7	2.7437	2.1712	1.0860	2.7981	3.8175	3.1194		1.7702	1.7702
H8	3.2611	2.1484	1.0923	4.0123	4.1642	2.5765	1.7702		1.7612
H9	3.2611	2.1484	1.0923	4.0123	4.1642	2.5765	1.7702	1.7612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.602	C1	C2	H6	115.194
C2	C1	Cl4	124.445	C2	C1	H5	123.094
C2	C3	H7	112.083	C2	C3	H8	109.873
C2	C3	H9	109.873	C3	C2	H6	117.204
Cl4	C1	H5	112.461	H7	C3	H8	108.717
H7	C3	H9	108.717	H8	C3	H9	107.454

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	-0.235
2	C	-0.142
3	C	-0.345
4	Cl	-0.145
5	H	0.235
6	H	0.238
7	H	0.162
8	H	0.116
9	H	0.116

	x	y	z
x	8.758	0.298	0.000
y	0.298	5.566	0.000
z	0.000	0.000	3.484

<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))