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	hartrees
Energy at 0K	-577.499964
Energy at 298.15K	-577.505016
HF Energy	-577.499964
Nuclear repulsion energy	146.446495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3259	3117	5.78
2	A	3173	3035	5.00
3	A	3157	3019	9.28
4	A	3141	3005	5.17
5	A	3090	2956	15.88
6	A	1747	1671	9.73
7	A	1464	1400	7.50
8	A	1440	1378	6.95
9	A	1340	1281	26.29
10	A	1326	1268	1.41
11	A	1216	1163	5.61
12	A	1074	1027	3.89
13	A	1032	987	20.16
14	A	981	938	37.61
15	A	943	902	8.56
16	A	937	896	7.15
17	A	742	710	27.51
18	A	556	531	16.74
19	A	516	493	3.95
20	A	220	211	0.64
21	A	144	138	1.90

Atom	x (Å)	y (Å)	z (Å)
C1	-1.748	-0.770	-0.006
C2	-1.314	0.460	-0.002
C3	0.110	0.941	0.002
Cl4	1.367	-0.327	-0.000
H5	-1.077	-1.611	0.009
H6	-2.814	-0.961	0.023
H7	-2.063	1.245	-0.003
H8	0.213	1.552	-0.891
H9	0.210	1.548	0.897

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3047	2.5259	3.1465	1.0761	1.0834	2.0395	3.1656	3.1664
C2	1.3047		1.5030	2.7945	2.0851	2.0665	1.0844	2.0771	2.0774
C3	2.5259	1.5030		1.7855	2.8148	3.4882	2.1939	1.0868	1.0867
Cl4	3.1465	2.7945	1.7855		2.7611	4.2291	3.7729	2.3785	2.3793
H5	1.0761	2.0851	2.8148	2.7611		1.8549	3.0215	3.5329	3.5256
H6	1.0834	2.0665	3.4882	4.2291	1.8549		2.3304	4.0390	4.0257
H7	2.0395	1.0844	2.1939	3.7729	3.0215	2.3304		2.4620	2.4633
H8	3.1656	2.0771	1.0868	2.3785	3.5329	4.0390	2.4620		1.7881
H9	3.1664	2.0774	1.0867	2.3793	3.5256	4.0257	2.4633	1.7881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.072	C1	C2	H7	116.922
C2	C1	H5	121.991	C2	C1	H6	119.547
C2	C3	Cl4	116.106	C2	C3	H8	105.523
C2	C3	H9	105.544	C3	C2	H7	115.005
Cl4	C3	H8	109.384	Cl4	C3	H9	109.451
H5	C1	H6	118.399	H8	C3	H9	110.712

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

using model chemistry: wB97X-D/6-311G**

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	-0.208
2	C	-0.170
3	C	-0.276
4	Cl	-0.116
5	H	0.145
6	H	0.127
7	H	0.129
8	H	0.184
9	H	0.184

	x	y	z	Total
	-1.511	1.455	0.000	2.097
CHELPG
AIM
ESP

	x	y	z
x	7.524	0.041	0.000
y	0.041	7.535	-0.000
z	0.000	-0.000	3.781

<r²>	116.486
(<r²>)^1/2	10.793

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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