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	hartrees
Energy at 0K	-576.548475
Energy at 298.15K	-576.553506
HF Energy	-576.002239
Nuclear repulsion energy	142.725987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3301	3144	7.26
2	A	3220	3067	4.68
3	A	3195	3043	6.78
4	A	3191	3039	0.83
5	A	3122	2974	16.36
6	A	1706	1625	0.83
7	A	1483	1413	4.86
8	A	1445	1377	6.34
9	A	1317	1254	5.79
10	A	1286	1225	28.70
11	A	1233	1174	0.92
12	A	1126	1072	0.94
13	A	1021	973	16.74
14	A	968	922	5.50
15	A	941	896	32.60
16	A	907	864	4.99
17	A	783	746	43.86
18	A	614	584	5.13
19	A	403	384	0.54
20	A	290	276	4.51
21	A	108	103	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	2.233	-0.178	-0.316
C2	1.124	-0.154	0.448
C3	-0.046	0.736	0.162
Cl4	-1.540	-0.235	-0.123
H5	2.321	0.451	-1.209
H6	3.079	-0.825	-0.067
H7	1.046	-0.798	1.333
H8	-0.271	1.399	1.011
H9	0.126	1.347	-0.738

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3473	2.5015	3.7783	1.0957	1.0940	2.1241	3.2434	2.6354
C2	1.3473		1.4973	2.7255	2.1316	2.1307	1.0970	2.1618	2.1574
C3	2.5015	1.4973		1.8046	2.7495	3.5008	2.2172	1.1011	1.1005
Cl4	3.7783	2.7255	1.8046		4.0684	4.6567	3.0203	2.3598	2.3776
H5	1.0957	2.1316	2.7495	4.0684		1.8730	3.1055	3.5419	2.4172
H6	1.0940	2.1307	3.5008	4.6567	1.8730		2.4686	4.1635	3.7272
H7	2.1241	1.0970	2.2172	3.0203	3.1055	2.4686		2.5813	3.1198
H8	3.2434	2.1618	1.1011	2.3598	3.5419	4.1635	2.5813		1.7944
H9	2.6354	2.1574	1.1005	2.3776	2.4172	3.7272	3.1198	1.7944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.053	C1	C2	H7	120.346
C2	C1	H5	121.168	C2	C1	H6	121.222
C2	C3	Cl4	110.921	C2	C3	H8	111.698
C2	C3	H9	111.381	C3	C2	H7	116.599
Cl4	C3	H8	106.062	Cl4	C3	H9	107.363
H5	C1	H6	117.610	H8	C3	H9	109.185

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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