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	hartrees
Energy at 0K	-575.973264
Energy at 298.15K	-575.978342
HF Energy	-575.973264
Nuclear repulsion energy	145.965195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3432	3084	11.57
2	A'	3342	3002	15.63
3	A'	3317	2980	6.07
4	A'	3207	2881	28.59
5	A'	1878	1687	14.82
6	A'	1630	1464	3.33
7	A'	1572	1412	0.97
8	A'	1488	1337	45.05
9	A'	1376	1236	0.24
10	A'	1198	1077	0.67
11	A'	1002	900	18.89
12	A'	813	730	52.72
13	A'	606	545	2.31
14	A'	243	219	1.13
15	A"	3254	2923	29.22
16	A"	1632	1466	6.94
17	A"	1182	1062	1.34
18	A"	1082	972	2.66
19	A"	796	715	48.98
20	A"	443	398	1.69
21	A"	122	109	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.908	0.000
C2	-1.226	0.433	0.000
C3	-1.669	-0.999	0.000
Cl4	1.445	-0.065	0.000
H5	0.218	1.957	0.000
H6	-2.007	1.176	0.000
H7	-0.834	-1.685	0.000
H8	-2.281	-1.202	0.874
H9	-2.281	-1.202	-0.874

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3150	2.5348	1.7417	1.0707	2.0250	2.7237	3.2282	3.2282
C2	1.3150		1.4995	2.7169	2.0990	1.0779	2.1540	2.1334	2.1334
C3	2.5348	1.4995		3.2514	3.5070	2.2016	1.0808	1.0862	1.0862
Cl4	1.7417	2.7169	3.2514		2.3642	3.6681	2.7958	3.9925	3.9925
H5	1.0707	2.0990	3.5070	2.3642		2.3580	3.7901	4.1214	4.1214
H6	2.0250	1.0779	2.2016	3.6681	2.3580		3.0923	2.5487	2.5487
H7	2.7237	2.1540	1.0808	2.7958	3.7901	3.0923		1.7585	1.7585
H8	3.2282	2.1334	1.0862	3.9925	4.1214	2.5487	1.7585		1.7488
H9	3.2282	2.1334	1.0862	3.9925	4.1214	2.5487	1.7585	1.7488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.362	C1	C2	H6	115.255
C2	C1	Cl4	124.875	C2	C1	H5	122.916
C2	C3	H7	112.171	C2	C3	H8	110.165
C2	C3	H9	110.165	C3	C2	H6	116.383
Cl4	C1	H5	112.209	H7	C3	H8	108.485
H7	C3	H9	108.485	H8	C3	H9	107.222

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	-0.303
2	C	-0.120
3	C	-0.522
4	Cl	-0.049
5	H	0.231
6	H	0.198
7	H	0.204
8	H	0.181
9	H	0.181

	x	y	z	Total
	-1.962	0.591	0.000	2.049
CHELPG
AIM
ESP

	x	y	z
x	8.562	0.286	0.000
y	0.286	5.548	-0.001
z	0.000	-0.001	3.437

<r²>	120.523
(<r²>)^1/2	10.978

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))