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	hartrees
Energy at 0K	-574.684280
Energy at 298.15K	-574.689174
Nuclear repulsion energy	140.575229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3158	3137	14.46
2	A	3103	3083	7.35
3	A	3084	3064	1.73
4	A	3076	3056	4.98
5	A	3028	3009	12.03
6	A	1650	1639	1.07
7	A	1500	1490	5.76
8	A	1466	1457	6.04
9	A	1330	1321	0.10
10	A	1264	1255	26.59
11	A	1217	1209	3.06
12	A	1101	1094	1.36
13	A	1004	997	13.17
14	A	939	933	43.50
15	A	916	910	12.05
16	A	893	887	3.38
17	A	693	689	58.79
18	A	549	545	22.84
19	A	399	397	2.44
20	A	278	276	8.61
21	A	107	107	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	2.239	-0.257	-0.297
C2	1.157	-0.062	0.474
C3	-0.010	0.790	0.057
Cl4	-1.569	-0.261	-0.088
H5	2.321	0.184	-1.295
H6	3.083	-0.862	0.041
H7	1.083	-0.519	1.464
H8	-0.267	1.552	0.806
H9	0.136	1.250	-0.928

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3429	2.5063	3.8136	1.0936	1.0919	2.1232	3.2810	2.6625
C2	1.3429		1.5037	2.7899	2.1312	2.1300	1.0937	2.1771	2.1740
C3	2.5063	1.5037		1.8853	2.7621	3.5067	2.2113	1.0982	1.0971
Cl4	3.8136	2.7899	1.8853		4.0968	4.6920	3.0836	2.4041	2.4283
H5	1.0936	2.1312	2.7621	4.0968		1.8596	3.1046	3.6024	2.4581
H6	1.0919	2.1300	3.5067	4.6920	1.8596		2.4784	4.1987	3.7522
H7	2.1232	1.0937	2.2113	3.0836	3.1046	2.4784		2.5580	3.1223
H8	3.2810	2.1771	1.0982	2.4041	3.6024	4.1987	2.5580		1.8053
H9	2.6625	2.1740	1.0971	2.4283	2.4581	3.7522	3.1223	1.8053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.290	C1	C2	H7	120.897
C2	C1	H5	121.683	C2	C1	H6	121.705
C2	C3	Cl4	110.312	C2	C3	H8	112.657
C2	C3	H9	112.470	C3	C2	H7	115.811
Cl4	C3	H8	104.254	Cl4	C3	H9	105.980
H5	C1	H6	116.612	H8	C3	H9	110.641

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

using model chemistry: BLYP/3-21G*

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	-0.329
2	C	-0.127
3	C	-0.475
4	Cl	-0.089
5	H	0.177
6	H	0.185
7	H	0.190
8	H	0.239
9	H	0.230

	x	y	z	Total
	2.119	1.086	0.203	2.389
CHELPG
AIM
ESP

	x	y	z
x	8.927	-0.226	-0.808
y	-0.226	4.207	-0.336
z	-0.808	-0.336	4.816

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/3-21G*

States and conformations

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