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	hartrees
Energy at 0K	-34.521870
Energy at 298.15K	-34.526868
HF Energy	-34.030530
Nuclear repulsion energy	58.856384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3294	3128	18.50
2	A	3227	3064	8.57
3	A	3215	3053	7.15
4	A	3191	3029	7.79
5	A	3134	2976	26.96
6	A	1706	1620	0.62
7	A	1514	1438	5.83
8	A	1462	1388	8.49
9	A	1338	1270	29.65
10	A	1311	1245	13.64
11	A	1251	1188	1.36
12	A	1142	1085	2.41
13	A	1024	972	39.48
14	A	965	916	6.64
15	A	916	870	4.18
16	A	893	848	59.94
17	A	782	742	51.52
18	A	616	585	6.04
19	A	404	383	0.62
20	A	291	277	5.39
21	A	106	101	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	2.255	-0.170	-0.325
C2	1.130	-0.168	0.458
C3	-0.046	0.738	0.173
Cl4	-1.552	-0.234	-0.129
H5	2.338	0.471	-1.210
H6	3.105	-0.820	-0.083
H7	1.055	-0.825	1.332
H8	-0.276	1.388	1.033
H9	0.128	1.353	-0.723

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3708	2.5232	3.8128	1.0955	1.0965	2.1481	3.2671	2.6459
C2	1.3708		1.5114	2.7460	2.1563	2.1490	1.0960	2.1739	2.1705
C3	2.5232	1.5114		1.8176	2.7691	3.5239	2.2360	1.1020	1.1004
Cl4	3.8128	2.7460	1.8176		4.0988	4.6936	3.0462	2.3677	2.3863
H5	1.0955	2.1563	2.7691	4.0988		1.8762	3.1282	3.5643	2.4291
H6	1.0965	2.1490	3.5239	4.6936	1.8762		2.4908	4.1888	3.7401
H7	2.1481	1.0960	2.2360	3.0462	3.1282	2.4908		2.5995	3.1347
H8	3.2671	2.1739	1.1020	2.3677	3.5643	4.1888	2.5995		1.8021
H9	2.6459	2.1705	1.1004	2.3863	2.4291	3.7401	3.1347	1.8021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.112	C1	C2	H7	120.694
C2	C1	H5	121.529	C2	C1	H6	120.742
C2	C3	Cl4	110.814	C2	C3	H8	111.610
C2	C3	H9	111.440	C3	C2	H7	117.190
Cl4	C3	H8	105.757	Cl4	C3	H9	107.157
H5	C1	H6	117.728	H8	C3	H9	109.817

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

using model chemistry: MP2/CEP-31G*

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-31G*

States and conformations

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