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	hartrees
Energy at 0K	-577.515827
Energy at 298.15K	-577.520811
Nuclear repulsion energy	142.252404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3242	3126	11.30
2	A	3177	3063	6.72
3	A	3157	3044	4.07
4	A	3152	3039	3.69
5	A	3094	2983	13.20
6	A	1709	1648	1.57
7	A	1492	1439	6.17
8	A	1453	1401	7.43
9	A	1326	1279	3.55
10	A	1289	1243	42.45
11	A	1227	1183	1.38
12	A	1119	1079	1.35
13	A	1022	986	16.87
14	A	961	927	46.48
15	A	951	917	9.07
16	A	909	876	5.93
17	A	735	708	64.41
18	A	592	571	13.58
19	A	404	389	1.05
20	A	283	273	7.34
21	A	110	106	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	2.235	-0.205	-0.309
C2	1.141	-0.121	0.454
C3	-0.027	0.748	0.125
Cl4	-1.554	-0.242	-0.110
H5	2.325	0.348	-1.241
H6	3.077	-0.827	-0.025
H7	1.070	-0.693	1.377
H8	-0.264	1.440	0.936
H9	0.125	1.305	-0.800

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3361	2.4922	3.7946	1.0875	1.0857	2.1066	3.2399	2.6403
C2	1.3361		1.4923	2.7562	2.1200	2.1159	1.0884	2.1548	2.1535
C3	2.4922	1.4923		1.8352	2.7490	3.4843	2.2015	1.0918	1.0906
Cl4	3.7946	2.7562	1.8352		4.0836	4.6693	3.0496	2.3639	2.3852
H5	1.0875	2.1200	2.7490	4.0836		1.8517	3.0844	3.5539	2.4391
H6	1.0857	2.1159	3.4843	4.6693	1.8517		2.4517	4.1505	3.7236
H7	2.1066	1.0884	2.2015	3.0496	3.0844	2.4517		2.5548	3.1024
H8	3.2399	2.1548	1.0918	2.3639	3.5539	4.1505	2.5548		1.7835
H9	2.6403	2.1535	1.0906	2.3852	2.4391	3.7236	3.1024	1.7835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.467	C1	C2	H7	120.309
C2	C1	H5	121.685	C2	C1	H6	121.437
C2	C3	Cl4	111.441	C2	C3	H8	112.071
C2	C3	H9	112.035	C3	C2	H7	116.219
Cl4	C3	H8	104.869	Cl4	C3	H9	106.426
H5	C1	H6	116.878	H8	C3	H9	109.611

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

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

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	-0.371
2	C	0.115
3	C	-0.484
4	Cl	-0.074
5	H	0.137
6	H	0.144
7	H	0.146
8	H	0.200
9	H	0.187

	x	y	z	Total
	1.976	1.060	0.279	2.260
CHELPG
AIM
ESP

	x	y	z
x	10.201	0.075	-0.733
y	0.075	5.907	-0.060
z	-0.733	-0.060	6.170

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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