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	hartrees
Energy at 0K	-576.744054
Energy at 298.15K	-576.748937
HF Energy	-576.053081
Nuclear repulsion energy	146.397517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3259	3094	6.65
2	A'	3201	3039	5.86
3	A'	3186	3025	2.29
4	A'	3076	2921	15.08
5	A'	1693	1607	19.74
6	A'	1498	1422	3.96
7	A'	1419	1348	4.35
8	A'	1358	1289	31.31
9	A'	1256	1192	0.72
10	A'	1102	1047	0.84
11	A'	954	906	19.72
12	A'	783	744	37.68
13	A'	568	540	0.53
14	A'	228	216	1.05
15	A"	3147	2988	10.01
16	A"	1503	1427	6.52
17	A"	1066	1013	1.76
18	A"	952	904	0.27
19	A"	716	680	45.64
20	A"	404	383	2.27
21	A"	108	102	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.897	0.000
C2	-1.246	0.407	0.000
C3	-1.710	-1.013	0.000
Cl4	1.478	-0.043	0.000
H5	0.177	1.964	0.000
H6	-2.025	1.161	0.000
H7	-0.882	-1.710	0.000
H8	-2.329	-1.213	0.877
H9	-2.329	-1.213	-0.877

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3384	2.5636	1.7513	1.0818	2.0426	2.7523	3.2627	3.2627
C2	1.3384		1.4945	2.7604	2.1087	1.0843	2.1484	2.1374	2.1374
C3	2.5636	1.4945		3.3319	3.5248	2.1968	1.0818	1.0923	1.0923
Cl4	1.7513	2.7604	3.3319		2.3919	3.7042	2.8895	4.0781	4.0781
H5	1.0818	2.1087	3.5248	2.3919		2.3442	3.8239	4.1403	4.1403
H6	2.0426	1.0843	2.1968	3.7042	2.3442		3.0901	2.5486	2.5486
H7	2.7523	2.1484	1.0818	2.8895	3.8239	3.0901		1.7636	1.7636
H8	3.2627	2.1374	1.0923	4.0781	4.1403	2.5486	1.7636		1.7545
H9	3.2627	2.1374	1.0923	4.0781	4.1403	2.5486	1.7636	1.7545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	129.548	C1	C2	H6	114.534
C2	C1	Cl4	126.089	C2	C1	H5	120.860
C2	C3	H7	112.010	C2	C3	H8	110.471
C2	C3	H9	110.471	C3	C2	H6	115.918
Cl4	C1	H5	113.051	H7	C3	H8	108.427
H7	C3	H9	108.427	H8	C3	H9	106.865

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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