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	hartrees
Energy at 0K	-34.569980
Energy at 298.15K	-34.574984
HF Energy	-34.043579
Nuclear repulsion energy	59.295470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3282	3127	13.09
2	A	3209	3057	9.05
3	A	3193	3042	4.51
4	A	3175	3025	5.45
5	A	3118	2971	20.65
6	A	1681	1602	1.10
7	A	1521	1449	4.74
8	A	1467	1398	8.92
9	A	1342	1278	32.66
10	A	1311	1249	11.14
11	A	1247	1188	0.95
12	A	1138	1084	1.51
13	A	1004	956	31.22
14	A	964	919	6.87
15	A	921	877	6.60
16	A	884	842	53.58
17	A	778	741	46.77
18	A	607	578	5.32
19	A	408	389	0.50
20	A	291	277	5.36
21	A	105	100	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	2.223	-0.212	-0.311
C2	1.129	-0.108	0.471
C3	-0.043	0.760	0.110
Cl4	-1.538	-0.249	-0.107
H5	2.295	0.317	-1.259
H6	3.067	-0.832	-0.021
H7	1.064	-0.654	1.411
H8	-0.276	1.477	0.901
H9	0.129	1.288	-0.831

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3491	2.5017	3.7668	1.0880	1.0861	2.1227	3.2508	2.6282
C2	1.3491		1.5024	2.7323	2.1291	2.1261	1.0894	2.1608	2.1548
C3	2.5017	1.5024		1.8164	2.7452	3.4958	2.2178	1.0928	1.0922
Cl4	3.7668	2.7323	1.8164		4.0420	4.6419	3.0391	2.3637	2.3800
H5	1.0880	2.1291	2.7452	4.0420		1.8573	3.0966	3.5524	2.4121
H6	1.0861	2.1261	3.4958	4.6419	1.8573		2.4682	4.1654	3.7123
H7	2.1227	1.0894	2.2178	3.0391	3.0966	2.4682		2.5683	3.1101
H8	3.2508	2.1608	1.0928	2.3637	3.5524	4.1654	2.5683		1.7885
H9	2.6282	2.1548	1.0922	2.3800	2.4121	3.7123	3.1101	1.7885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.554	C1	C2	H7	120.664
C2	C1	H5	121.388	C2	C1	H6	121.249
C2	C3	Cl4	110.478	C2	C3	H8	111.763
C2	C3	H9	111.317	C3	C2	H7	116.781
Cl4	C3	H8	105.991	Cl4	C3	H9	107.187
H5	C1	H6	117.362	H8	C3	H9	109.871

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

using model chemistry: MP2/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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All results from a given calculation for C3H5Cl (1-Propene, 3-chloro-)

using model chemistry: MP2/CEP-121G*

States and conformations

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