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	hartrees
Energy at 0K	-33.975455
Energy at 298.15K	-33.980635
Nuclear repulsion energy	58.929007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3388	3091	28.15
2	A	3353	3060	10.15
3	A	3326	3035	2.90
4	A	3279	2992	8.93
5	A	3261	2975	23.74
6	A	1812	1653	0.71
7	A	1619	1477	6.73
8	A	1572	1434	12.76
9	A	1434	1309	10.48
10	A	1412	1288	57.57
11	A	1331	1214	0.70
12	A	1211	1105	2.33
13	A	1128	1029	0.29
14	A	1104	1008	92.32
15	A	1020	931	12.95
16	A	984	898	5.50
17	A	783	714	85.30
18	A	612	558	35.52
19	A	426	389	2.45
20	A	298	272	8.58
21	A	108	98	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	2.245	-0.242	-0.301
C2	1.159	-0.083	0.465
C3	-0.005	0.782	0.078
Cl4	-1.574	-0.254	-0.093
H5	2.338	0.229	-1.266
H6	3.070	-0.851	0.021
H7	1.087	-0.576	1.419
H8	-0.256	1.506	0.837
H9	0.125	1.258	-0.880

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3377	2.5008	3.8246	1.0777	1.0755	2.1000	3.2565	2.6610
C2	1.3377		1.5014	2.7952	2.1167	2.1068	1.0767	2.1604	2.1628
C3	2.5008	1.5014		1.8882	2.7569	3.4828	2.1993	1.0780	1.0775
Cl4	3.8246	2.7952	1.8882		4.1123	4.6841	3.0778	2.3869	2.4065
H5	1.0777	2.1167	2.7569	4.1123		1.8332	3.0693	3.5749	2.4710
H6	1.0755	2.1068	3.4828	4.6841	1.8332		2.4418	4.1580	3.7336
H7	2.1000	1.0767	2.1993	3.0778	3.0693	2.4418		2.5457	3.0948
H8	3.2565	2.1604	1.0780	2.3869	3.5749	4.1580	2.5457		1.7757
H9	2.6610	2.1628	1.0775	2.4065	2.4710	3.7336	3.0948	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.386	C1	C2	H7	120.483
C2	C1	H5	122.039	C2	C1	H6	121.241
C2	C3	Cl4	110.587	C2	C3	H8	112.734
C2	C3	H9	112.972	C3	C2	H7	116.127
Cl4	C3	H8	103.781	Cl4	C3	H9	105.174
H5	C1	H6	116.720	H8	C3	H9	110.931

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

using model chemistry: HF/CEP-121G

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	-0.394
2	C	0.126
3	C	-0.532
4	Cl	-0.106
5	H	0.161
6	H	0.150
7	H	0.182
8	H	0.204
9	H	0.209

	x	y	z	Total
	2.695	1.445	0.242	3.068
CHELPG
AIM
ESP

	x	y	z
x	9.453	0.307	-1.072
y	0.307	4.737	-0.073
z	-1.072	-0.073	5.063

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/CEP-121G

States and conformations

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