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	hartrees
Energy at 0K	-573.646316
Energy at 298.15K	-573.651358
HF Energy	-573.243685
Nuclear repulsion energy	142.058812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3266	3107	11.21
2	A	3207	3051	4.62
3	A	3192	3037	1.76
4	A	3175	3021	4.52
5	A	3132	2980	10.55
6	A	1691	1609	1.22
7	A	1571	1494	5.76
8	A	1532	1458	4.67
9	A	1379	1312	0.17
10	A	1355	1289	29.63
11	A	1282	1219	0.55
12	A	1160	1103	1.46
13	A	1046	995	20.32
14	A	978	931	42.87
15	A	948	902	9.65
16	A	942	896	2.57
17	A	757	720	56.14
18	A	603	573	8.20
19	A	418	398	1.09
20	A	295	281	4.65
21	A	101	96	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	2.235	-0.209	-0.307
C2	1.138	-0.119	0.460
C3	-0.036	0.763	0.120
Cl4	-1.549	-0.247	-0.109
H5	2.330	0.344	-1.238
H6	3.074	-0.839	-0.030
H7	1.052	-0.689	1.382
H8	-0.267	1.467	0.921
H9	0.129	1.302	-0.815

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3418	2.5074	3.7898	1.0872	1.0851	2.1170	3.2519	2.6410
C2	1.3418		1.5074	2.7496	2.1258	2.1228	1.0872	2.1676	2.1589
C3	2.5074	1.5074		1.8334	2.7601	3.5018	2.2104	1.0909	1.0917
Cl4	3.7898	2.7496	1.8334		4.0831	4.6614	3.0308	2.3754	2.3906
H5	1.0872	2.1258	2.7601	4.0831		1.8480	3.0925	3.5586	2.4367
H6	1.0851	2.1228	3.5018	4.6614	1.8480		2.4700	4.1688	3.7243
H7	2.1170	1.0872	2.2104	3.0308	3.0925	2.4700		2.5684	3.1049
H8	3.2519	2.1676	1.0909	2.3754	3.5586	4.1688	2.5684		1.7886
H9	2.6410	2.1589	1.0917	2.3906	2.4367	3.7243	3.1049	1.7886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.186	C1	C2	H7	120.918
C2	C1	H5	121.771	C2	C1	H6	121.660
C2	C3	Cl4	110.403	C2	C3	H8	112.079
C2	C3	H9	111.324	C3	C2	H7	115.895
Cl4	C3	H8	105.828	Cl4	C3	H9	106.872
H5	C1	H6	116.569	H8	C3	H9	110.066

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

using model chemistry: MP2/3-21G*

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

using model chemistry: MP2/3-21G*

States and conformations

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