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	hartrees
Energy at 0K	-576.562988
Energy at 298.15K	-576.567821
HF Energy	-576.017979
Nuclear repulsion energy	145.656461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3096	9.60
2	A'	3202	3043	9.57
3	A'	3189	3030	2.35
4	A'	3081	2928	15.97
5	A'	1701	1617	19.95
6	A'	1525	1449	6.20
7	A'	1453	1381	5.29
8	A'	1381	1313	32.70
9	A'	1280	1216	2.05
10	A'	1118	1062	1.54
11	A'	962	914	22.14
12	A'	789	750	41.17
13	A'	573	544	0.50
14	A'	232	221	0.63
15	A"	3151	2994	14.13
16	A"	1526	1451	11.09
17	A"	1080	1026	1.10
18	A"	928	882	0.61
19	A"	708	673	62.53
20	A"	393	373	2.15
21	A"	87	83	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.894	0.000
C2	-1.249	0.409	0.000
C3	-1.720	-1.011	0.000
Cl4	1.485	-0.045	0.000
H5	0.174	1.967	0.000
H6	-2.033	1.166	0.000
H7	-0.898	-1.718	0.000
H8	-2.342	-1.206	0.881
H9	-2.342	-1.206	-0.881

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3400	2.5666	1.7573	1.0871	2.0513	2.7621	3.2666	3.2666
C2	1.3400		1.4961	2.7720	2.1103	1.0898	2.1560	2.1398	2.1398
C3	2.5666	1.4961		3.3477	3.5294	2.1995	1.0843	1.0959	1.0959
Cl4	1.7573	2.7720	3.3477		2.4014	3.7211	2.9119	4.0953	4.0953
H5	1.0871	2.1103	3.5294	2.4014		2.3483	3.8379	4.1443	4.1443
H6	2.0513	1.0898	2.1995	3.7211	2.3483		3.0996	2.5492	2.5492
H7	2.7621	2.1560	1.0843	2.9119	3.8379	3.0996		1.7673	1.7673
H8	3.2666	2.1398	1.0959	4.0953	4.1443	2.5492	1.7673		1.7621
H9	3.2666	2.1398	1.0959	4.0953	4.1443	2.5492	1.7673	1.7621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	129.555	C1	C2	H6	114.786
C2	C1	Cl4	126.484	C2	C1	H5	120.444
C2	C3	H7	112.362	C2	C3	H8	110.331
C2	C3	H9	110.331	C3	C2	H6	115.659
Cl4	C1	H5	113.072	H7	C3	H8	108.311
H7	C3	H9	108.311	H8	C3	H9	107.016

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(Z))

using model chemistry: MP2/6-311G*

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-chloro-1-propene(Z))

using model chemistry: MP2/6-311G*

States and conformations

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(Z))