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	hartrees
Energy at 0K	-576.216832
Energy at 298.15K	-576.221773
HF Energy	-575.907072
Nuclear repulsion energy	138.820491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3260	3147	26.61
2	A	3196	3085	16.53
3	A	3178	3067	3.74
4	A	3143	3033	10.53
5	A	3103	2996	27.10
6	A	1656	1599	1.80
7	A	1516	1464	7.48
8	A	1481	1429	6.75
9	A	1344	1298	13.56
10	A	1326	1280	17.37
11	A	1246	1202	0.74
12	A	1123	1084	2.14
13	A	1019	984	34.49
14	A	954	921	9.08
15	A	925	893	2.23
16	A	900	868	57.52
17	A	726	701	41.94
18	A	574	554	8.30
19	A	399	386	0.61
20	A	278	268	5.50
21	A	109	105	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	2.270	-0.271	-0.298
C2	1.170	-0.048	0.484
C3	-0.002	0.803	0.043
Cl4	-1.593	-0.265	-0.083
H5	2.349	0.146	-1.308
H6	3.109	-0.874	0.058
H7	1.109	-0.488	1.486
H8	-0.258	1.584	0.772
H9	0.149	1.230	-0.959

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3679	2.5359	3.8695	1.0949	1.0930	2.1399	3.3131	2.6809
C2	1.3679		1.5142	2.8294	2.1535	2.1499	1.0964	2.1878	2.1812
C3	2.5359	1.5142		1.9207	2.7899	3.5341	2.2327	1.0984	1.0991
Cl4	3.8695	2.8294	1.9207		4.1489	4.7438	3.1329	2.4351	2.4569
H5	1.0949	2.1535	2.7899	4.1489		1.8662	3.1218	3.6320	2.4776
H6	1.0930	2.1499	3.5341	4.7438	1.8662		2.4874	4.2294	3.7712
H7	2.1399	1.0964	2.2327	3.1329	3.1218	2.4874		2.5833	3.1387
H8	3.3131	2.1878	1.0984	2.4351	3.6320	4.2294	2.5833		1.8126
H9	2.6809	2.1812	1.0991	2.4569	2.4776	3.7712	3.1387	1.8126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.183	C1	C2	H7	120.144
C2	C1	H5	121.560	C2	C1	H6	121.367
C2	C3	Cl4	110.359	C2	C3	H8	112.766
C2	C3	H9	112.185	C3	C2	H7	116.672
Cl4	C3	H8	104.187	Cl4	C3	H9	105.657
H5	C1	H6	117.072	H8	C3	H9	111.147

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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