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	hartrees
Energy at 0K	-574.663401
Energy at 298.15K	-574.668377
Nuclear repulsion energy	140.275866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3244	3130	10.43
2	A	3211	3098	2.87
3	A	3183	3071	1.43
4	A	3159	3048	3.98
5	A	3136	3026	7.44
6	A	1710	1650	0.98
7	A	1535	1481	7.32
8	A	1503	1450	8.92
9	A	1367	1319	0.10
10	A	1276	1232	28.72
11	A	1247	1203	5.02
12	A	1120	1081	1.52
13	A	1041	1004	9.84
14	A	992	957	54.07
15	A	958	924	15.78
16	A	904	872	3.11
17	A	717	692	64.16
18	A	557	537	26.35
19	A	413	398	2.31
20	A	278	269	9.67
21	A	110	106	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	2.216	-0.309	-0.278
C2	1.162	-0.002	0.478
C3	0.026	0.821	-0.008
Cl4	-1.573	-0.273	-0.064
H5	2.292	0.017	-1.312
H6	3.043	-0.895	0.108
H7	1.095	-0.346	1.506
H8	-0.258	1.625	0.668
H9	0.150	1.176	-1.029

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3331	2.4794	3.7959	1.0862	1.0845	2.1077	3.2798	2.6529
C2	1.3331		1.4854	2.8020	2.1165	2.1142	1.0860	2.1685	2.1647
C3	2.4794	1.4854		1.9382	2.7347	3.4728	2.1908	1.0883	1.0879
Cl4	3.7959	2.8020	1.9382		4.0716	4.6610	3.0975	2.4224	2.4498
H5	1.0862	2.1165	2.7347	4.0716		1.8472	3.0829	3.6062	2.4514
H6	1.0845	2.1142	3.4728	4.6610	1.8472		2.4595	4.1905	3.7351
H7	2.1077	1.0860	2.1908	3.0975	3.0829	2.4595		2.5337	3.1046
H8	3.2798	2.1685	1.0883	2.4224	3.6062	4.1905	2.5337		1.8019
H9	2.6529	2.1647	1.0879	2.4498	2.4514	3.7351	3.1046	1.8019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.121	C1	C2	H7	120.884
C2	C1	H5	121.722	C2	C1	H6	121.644
C2	C3	Cl4	109.142	C2	C3	H8	113.932
C2	C3	H9	113.640	C3	C2	H7	115.994
Cl4	C3	H8	102.692	Cl4	C3	H9	104.575
H5	C1	H6	116.633	H8	C3	H9	111.790

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

using model chemistry: B3LYP/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	-0.351
2	C	-0.146
3	C	-0.545
4	Cl	-0.086
5	H	0.195
6	H	0.204
7	H	0.213
8	H	0.263
9	H	0.253

	x	y	z	Total
	2.580	1.295	0.108	2.889
CHELPG
AIM
ESP

	x	y	z
x	8.854	-0.112	-0.814
y	-0.112	3.949	-0.192
z	-0.814	-0.192	4.521

<r²>	133.465
(<r²>)^1/2	11.553

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

using model chemistry: B3LYP/3-21G

States and conformations

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