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	hartrees
Energy at 0K	-131.153395
Energy at 298.15K	-131.158426
Nuclear repulsion energy	97.080880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3471	3123	14.18
2	A'	3354	3019	25.14
3	A'	3333	3000	5.78
4	A'	3207	2886	36.53
5	A'	1850	1664	15.73
6	A'	1636	1472	11.14
7	A'	1579	1421	5.81
8	A'	1469	1322	51.90
9	A'	1372	1234	0.48
10	A'	1204	1083	0.24
11	A'	1008	907	18.56
12	A'	754	678	55.59
13	A'	576	518	10.46
14	A'	236	213	1.81
15	A"	3274	2946	39.56
16	A"	1642	1477	14.77
17	A"	1201	1081	0.73
18	A"	1082	974	3.58
19	A"	794	715	85.22
20	A"	441	397	2.91
21	A"	121	109	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.941	0.000
C2	-1.240	0.475	0.000
C3	-1.704	-0.957	0.000
Cl4	1.466	-0.117	0.000
H5	0.270	1.973	0.000
H6	-2.013	1.225	0.000
H7	-0.878	-1.652	0.000
H8	-2.316	-1.150	0.875
H9	-2.316	-1.150	-0.875

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3248	2.5504	1.8077	1.0673	2.0334	2.7375	3.2401	3.2401
C2	1.3248		1.5052	2.7701	2.1272	1.0772	2.1578	2.1359	2.1359
C3	2.5504	1.5052		3.2790	3.5330	2.2039	1.0794	1.0849	1.0849
Cl4	1.8077	2.7701	3.2790		2.4085	3.7291	2.8017	4.0166	4.0166
H5	1.0673	2.1272	3.5330	2.4085		2.4027	3.8028	4.1478	4.1478
H6	2.0334	1.0772	2.2039	3.7291	2.4027		3.0931	2.5488	2.5488
H7	2.7375	2.1578	1.0794	2.8017	3.8028	3.0931		1.7565	1.7565
H8	3.2401	2.1359	1.0849	4.0166	4.1478	2.5488	1.7565		1.7496
H9	3.2401	2.1359	1.0849	4.0166	4.1478	2.5488	1.7565	1.7496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.522	C1	C2	H6	115.288
C2	C1	Cl4	123.600	C2	C1	H5	125.224
C2	C3	H7	112.147	C2	C3	H8	110.044
C2	C3	H9	110.044	C3	C2	H6	116.190
Cl4	C1	H5	111.176	H7	C3	H8	108.495
H7	C3	H9	108.495	H8	C3	H9	107.482

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

using model chemistry: HF/LANL2DZ

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	-0.330
2	C	0.015
3	C	-0.586
4	Cl	-0.139
5	H	0.245
6	H	0.195
7	H	0.213
8	H	0.193
9	H	0.193

	x	y	z	Total
	-2.644	0.866	0.000	2.782
CHELPG
AIM
ESP

	x	y	z
x	8.365	0.028	0.000
y	0.028	5.099	0.000
z	0.000	0.000	2.931

<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/LANL2DZ

States and conformations

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