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	hartrees
Energy at 0K	-573.456154
Energy at 298.15K	-573.461019
HF Energy	-573.137321
Nuclear repulsion energy	142.444931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	3142	3.24
2	A'	3190	3045	6.38
3	A'	3174	3030	1.95
4	A'	3088	2947	11.10
5	A'	1695	1617	16.93
6	A'	1588	1515	2.87
7	A'	1495	1427	6.61
8	A'	1399	1336	45.93
9	A'	1294	1235	1.56
10	A'	1131	1080	1.56
11	A'	934	892	14.48
12	A'	707	674	35.03
13	A'	532	508	5.98
14	A'	235	224	1.41
15	A"	3146	3003	13.35
16	A"	1594	1522	9.62
17	A"	1138	1086	0.18
18	A"	982	937	0.97
19	A"	736	702	64.46
20	A"	398	380	2.45
21	A"	113	108	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.967	0.000
C2	-1.254	0.519	0.000
C3	-1.711	-0.925	0.000
Cl4	1.472	-0.165	0.000
H5	0.305	2.003	0.000
H6	-2.035	1.279	0.000
H7	-0.850	-1.597	0.000
H8	-2.322	-1.129	0.887
H9	-2.322	-1.129	-0.887

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3320	2.5511	1.8567	1.0798	2.0589	2.7013	3.2517	3.2517
C2	1.3320		1.5145	2.8106	2.1523	1.0894	2.1543	2.1551	2.1551
C3	2.5511	1.5145		3.2727	3.5548	2.2273	1.0925	1.0960	1.0960
Cl4	1.8567	2.8106	3.2727		2.4622	3.7924	2.7281	4.0134	4.0134
H5	1.0798	2.1523	3.5548	2.4622		2.4492	3.7807	4.1831	4.1831
H6	2.0589	1.0894	2.2273	3.7924	2.4492		3.1104	2.5827	2.5827
H7	2.7013	2.1543	1.0925	2.7281	3.7807	3.1104		1.7805	1.7805
H8	3.2517	2.1551	1.0960	4.0134	4.1831	2.5827	1.7805		1.7741
H9	3.2517	2.1551	1.0960	4.0134	4.1831	2.5827	1.7805	1.7741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.219	C1	C2	H6	116.125
C2	C1	Cl4	122.784	C2	C1	H5	126.034
C2	C3	H7	110.404	C2	C3	H8	110.262
C2	C3	H9	110.262	C3	C2	H6	116.657
Cl4	C1	H5	111.183	H7	C3	H8	108.895
H7	C3	H9	108.895	H8	C3	H9	108.068

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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