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	hartrees
Energy at 0K	-577.512945
Energy at 298.15K	-577.517799
Nuclear repulsion energy	145.023043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	3111	8.62
2	A'	3161	3037	12.88
3	A'	3147	3023	1.90
4	A'	3039	2920	20.11
5	A'	1717	1650	18.96
6	A'	1496	1438	3.09
7	A'	1428	1372	2.88
8	A'	1357	1304	38.05
9	A'	1263	1214	0.82
10	A'	1099	1056	0.59
11	A'	943	906	21.04
12	A'	750	720	51.13
13	A'	562	540	2.15
14	A'	224	215	1.22
15	A"	3089	2968	18.40
16	A"	1499	1440	6.98
17	A"	1066	1025	0.30
18	A"	948	911	1.06
19	A"	712	684	43.25
20	A"	405	389	2.05
21	A"	120	115	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.919	0.000
C2	-1.241	0.436	0.000
C3	-1.672	-0.998	0.000
Cl4	1.451	-0.071	0.000
H5	0.230	1.977	0.000
H6	-2.029	1.189	0.000
H7	-0.819	-1.678	0.000
H8	-2.289	-1.215	0.880
H9	-2.289	-1.215	-0.880

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3314	2.5431	1.7564	1.0828	2.0467	2.7228	3.2505	3.2505
C2	1.3314		1.4971	2.7393	2.1300	1.0895	2.1559	2.1445	2.1445
C3	2.5431	1.4971		3.2576	3.5304	2.2151	1.0912	1.0967	1.0967
Cl4	1.7564	2.7393	3.2576		2.3842	3.7008	2.7813	4.0089	4.0089
H5	1.0828	2.1300	3.5304	2.3842		2.3923	3.8023	4.1600	4.1600
H6	2.0467	1.0895	2.2151	3.7008	2.3923		3.1115	2.5728	2.5728
H7	2.7228	2.1559	1.0912	2.7813	3.8023	3.1115		1.7749	1.7749
H8	3.2505	2.1445	1.0967	4.0089	4.1600	2.5728	1.7749		1.7604
H9	3.2505	2.1445	1.0967	4.0089	4.1600	2.5728	1.7749	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.985	C1	C2	H6	115.068
C2	C1	Cl4	124.457	C2	C1	H5	123.510
C2	C3	H7	111.846	C2	C3	H8	110.597
C2	C3	H9	110.597	C3	C2	H6	116.947
Cl4	C1	H5	112.033	H7	C3	H8	108.433
H7	C3	H9	108.433	H8	C3	H9	106.763

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

using model chemistry: B3LYP/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	-0.218
2	C	-0.020
3	C	-0.357
4	Cl	-0.040
5	H	0.142
6	H	0.106
7	H	0.137
8	H	0.125
9	H	0.125

	x	y	z	Total
	-1.767	0.477	0.000	1.830
CHELPG
AIM
ESP

	x	y	z
x	8.888	0.265	0.000
y	0.265	5.966	0.000
z	0.000	0.000	3.559

<r²>	121.221
(<r²>)^1/2	11.010

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

using model chemistry: B3LYP/6-31G**

States and conformations

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