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	hartrees
Energy at 0K	-575.981683
Energy at 298.15K	-575.986771
Nuclear repulsion energy	146.007654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3410	3078	11.78
2	A'	3323	2999	14.60
3	A'	3299	2978	5.89
4	A'	3186	2876	28.25
5	A'	1876	1693	15.05
6	A'	1612	1455	3.40
7	A'	1556	1404	1.53
8	A'	1478	1334	43.46
9	A'	1368	1235	0.22
10	A'	1192	1076	0.69
11	A'	998	901	19.32
12	A'	812	733	53.22
13	A'	606	547	2.29
14	A'	243	220	1.19
15	A"	3237	2922	28.85
16	A"	1615	1457	7.10
17	A"	1175	1061	1.25
18	A"	1078	973	2.76
19	A"	794	717	48.23
20	A"	444	400	1.70
21	A"	124	112	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.909	0.000
C2	-1.226	0.434	0.000
C3	-1.668	-0.998	0.000
Cl4	1.444	-0.066	0.000
H5	0.218	1.958	0.000
H6	-2.007	1.178	0.000
H7	-0.831	-1.683	0.000
H8	-2.280	-1.200	0.875
H9	-2.280	-1.200	-0.875

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3146	2.5333	1.7419	1.0713	2.0246	2.7215	3.2264	3.2264
C2	1.3146		1.4987	2.7159	2.0991	1.0786	2.1531	2.1322	2.1322
C3	2.5333	1.4987		3.2482	3.5060	2.2024	1.0809	1.0864	1.0864
Cl4	1.7419	2.7159	3.2482		2.3657	3.6677	2.7910	3.9894	3.9894
H5	1.0713	2.0991	3.5060	2.3657		2.3572	3.7885	4.1201	4.1201
H6	2.0246	1.0786	2.2024	3.6677	2.3572		3.0928	2.5489	2.5489
H7	2.7215	2.1531	1.0809	2.7910	3.7885	3.0928		1.7593	1.7593
H8	3.2264	2.1322	1.0864	3.9894	4.1201	2.5489	1.7593		1.7493
H9	3.2264	2.1322	1.0864	3.9894	4.1201	2.5489	1.7593	1.7493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.322	C1	C2	H6	115.204
C2	C1	Cl4	124.809	C2	C1	H5	122.911
C2	C3	H7	112.145	C2	C3	H8	110.120
C2	C3	H9	110.120	C3	C2	H6	116.474
Cl4	C1	H5	112.280	H7	C3	H8	108.534
H7	C3	H9	108.534	H8	C3	H9	107.243

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

using model chemistry: HF/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	-0.251
2	C	-0.080
3	C	-0.369
4	Cl	-0.050
5	H	0.181
6	H	0.148
7	H	0.153
8	H	0.134
9	H	0.134

	x	y	z	Total
	-1.976	0.581	0.000	2.060
CHELPG
AIM
ESP

	x	y	z
x	8.621	0.297	0.000
y	0.297	5.622	0.000
z	0.000	0.000	3.494

<r²>	120.392
(<r²>)^1/2	10.972

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

using model chemistry: HF/6-31G**

States and conformations

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