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	hartrees
Energy at 0K	-576.636799
Energy at 298.15K	-576.641851
HF Energy	-575.990600
Nuclear repulsion energy	143.774875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3314	3130	4.25
2	A	3241	3061	2.42
3	A	3215	3036	2.66
4	A	3212	3034	0.26
5	A	3143	2969	9.70
6	A	1704	1610	0.80
7	A	1508	1425	4.57
8	A	1464	1382	7.18
9	A	1332	1258	2.43
10	A	1300	1228	29.75
11	A	1244	1175	0.90
12	A	1133	1070	0.93
13	A	1042	984	13.65
14	A	970	916	5.23
15	A	965	911	32.89
16	A	915	865	5.41
17	A	788	744	46.22
18	A	623	588	5.36
19	A	407	384	0.57
20	A	290	274	4.77
21	A	109	103	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	2.209	-0.198	-0.309
C2	1.119	-0.124	0.458
C3	-0.044	0.747	0.130
Cl4	-1.525	-0.243	-0.113
H5	2.291	0.371	-1.228
H6	3.047	-0.827	-0.040
H7	1.043	-0.707	1.369
H8	-0.280	1.439	0.938
H9	0.120	1.307	-0.789

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3344	2.4819	3.7391	1.0835	1.0819	2.1062	3.2289	2.6188
C2	1.3344		1.4896	2.7076	2.1117	2.1114	1.0849	2.1516	2.1453
C3	2.4819	1.4896		1.7978	2.7270	3.4725	2.1983	1.0897	1.0890
Cl4	3.7391	2.7076	1.7978		4.0229	4.6095	3.0008	2.3415	2.3598
H5	1.0835	2.1117	2.7270	4.0229		1.8483	3.0766	3.5268	2.4045
H6	1.0819	2.1114	3.4725	4.6095	1.8483		2.4530	4.1418	3.6989
H7	2.1062	1.0849	2.1983	3.0008	3.0766	2.4530		2.5573	3.0936
H8	3.2289	2.1516	1.0897	2.3415	3.5268	4.1418	2.5573		1.7780
H9	2.6188	2.1453	1.0890	2.3598	2.4045	3.6989	3.0936	1.7780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.910	C1	C2	H7	120.706
C2	C1	H5	121.348	C2	C1	H6	121.453
C2	C3	Cl4	110.548	C2	C3	H8	112.127
C2	C3	H9	111.659	C3	C2	H7	116.384
Cl4	C3	H8	105.744	Cl4	C3	H9	107.086
H5	C1	H6	117.199	H8	C3	H9	109.390

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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