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	hartrees
Energy at 0K	-570.701467
Energy at 298.15K	-570.706207
Nuclear repulsion energy	140.310447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3484	3183	0.29
2	A	3398	3105	2.02
3	A	3387	3095	1.38
4	A	3331	3043	20.01
5	A	3269	2986	0.37
6	A	1786	1632	1.48
7	A	1574	1438	2.70
8	A	1522	1390	3.95
9	A	1372	1253	0.38
10	A	1320	1206	22.55
11	A	1262	1153	2.43
12	A	1145	1046	0.29
13	A	1063	971	7.52
14	A	981	896	11.98
15	A	966	883	20.56
16	A	924	844	2.08
17	A	812	741	35.05
18	A	627	572	4.28
19	A	403	369	0.64
20	A	274	251	5.89
21	A	102	94	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	2.227	-0.301	-0.281
C2	1.169	0.017	0.490
C3	-0.032	0.797	-0.026
Cl4	-1.559	-0.279	-0.059
H5	2.279	-0.012	-1.344
H6	3.089	-0.857	0.123
H7	1.129	-0.283	1.553
H8	-0.291	1.653	0.635
H9	0.123	1.155	-1.066

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3468	2.5240	3.7923	1.1033	1.1027	2.1372	3.3160	2.6756
C2	1.3468		1.5217	2.7982	2.1440	2.1418	1.1055	2.1973	2.1926
C3	2.5240	1.5217		1.8678	2.7804	3.5353	2.2377	1.1129	1.1108
Cl4	3.7923	2.7982	1.8678		4.0562	4.6878	3.1341	2.4125	2.4292
H5	1.1033	2.1440	2.7804	4.0562		1.8768	3.1288	3.6464	2.4666
H6	1.1027	2.1418	3.5353	4.6878	1.8768		2.4936	4.2413	3.7757
H7	2.1372	1.1055	2.2377	3.1341	3.1288	2.4936		2.5703	3.1525
H8	3.3160	2.1973	1.1129	2.4125	3.6464	4.2413	2.5703		1.8208
H9	2.6756	2.1926	1.1108	2.4292	2.4666	3.7757	3.1525	1.8208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.144	C1	C2	H7	120.955
C2	C1	H5	121.790	C2	C1	H6	121.621
C2	C3	Cl4	110.874	C2	C3	H8	112.094
C2	C3	H9	111.850	C3	C2	H7	115.901
Cl4	C3	H8	105.241	Cl4	C3	H9	106.501
H5	C1	H6	116.588	H8	C3	H9	109.933

All results from a given calculation for C₃H₅Cl (1-Propene, 3-chloro-)

using model chemistry: PBEPBE/STO-3G

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	-0.155
2	C	-0.073
3	C	-0.113
4	Cl	-0.163
5	H	0.089
6	H	0.093
7	H	0.095
8	H	0.115
9	H	0.113

	x	y	z	Total
	2.077	1.162	0.051	2.381
CHELPG
AIM
ESP

	x	y	z
x	5.289	-0.132	-0.570
y	-0.132	2.074	-0.081
z	-0.570	-0.081	2.590

<r²>	131.941
(<r²>)^1/2	11.487

All results from a given calculation for C3H5Cl (1-Propene, 3-chloro-)

using model chemistry: PBEPBE/STO-3G

States and conformations

All results from a given calculation for C₃H₅Cl (1-Propene, 3-chloro-)