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	hartrees
Energy at 0K	-576.609599
Energy at 298.15K	-576.614419
HF Energy	-576.035713
Nuclear repulsion energy	145.857639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3106	7.26
2	A'	3212	3044	9.36
3	A'	3199	3032	2.19
4	A'	3088	2927	17.96
5	A'	1701	1613	22.96
6	A'	1510	1431	4.15
7	A'	1441	1366	3.49
8	A'	1377	1305	34.81
9	A'	1276	1209	1.47
10	A'	1111	1053	1.73
11	A'	956	906	18.65
12	A'	781	740	39.46
13	A'	569	540	0.86
14	A'	230	218	1.01
15	A"	3158	2994	12.80
16	A"	1500	1422	7.46
17	A"	1076	1020	3.31
18	A"	910	863	0.35
19	A"	707	670	52.06
20	A"	382	362	1.82
21	A"	88	84	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.919	0.000
C2	-1.240	0.435	0.000
C3	-1.648	-1.001	0.000
Cl4	1.437	-0.069	0.000
H5	0.218	1.976	0.000
H6	-2.030	1.179	0.000
H7	-0.784	-1.660	0.000
H8	-2.254	-1.224	0.880
H9	-2.254	-1.224	-0.880

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3312	2.5304	1.7442	1.0790	2.0462	2.6954	3.2324	3.2324
C2	1.3312		1.4923	2.7240	2.1217	1.0851	2.1435	2.1340	2.1340
C3	2.5304	1.4923		3.2230	3.5135	2.2125	1.0871	1.0913	1.0913
Cl4	1.7442	2.7240	3.2230		2.3807	3.6845	2.7317	3.9665	3.9665
H5	1.0790	2.1217	3.5135	2.3807		2.3851	3.7712	4.1384	4.1384
H6	2.0462	1.0851	2.2125	3.6845	2.3851		3.0999	2.5685	2.5685
H7	2.6954	2.1435	1.0871	2.7317	3.7712	3.0999		1.7680	1.7680
H8	3.2324	2.1340	1.0913	3.9665	4.1384	2.5685	1.7680		1.7595
H9	3.2324	2.1340	1.0913	3.9665	4.1384	2.5685	1.7680	1.7595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.232	C1	C2	H6	115.361
C2	C1	Cl4	124.135	C2	C1	H5	123.017
C2	C3	H7	111.434	C2	C3	H8	110.412
C2	C3	H9	110.412	C3	C2	H6	117.408
Cl4	C1	H5	112.848	H7	C3	H8	108.510
H7	C3	H9	108.510	H8	C3	H9	107.446

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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