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	hartrees
Energy at 0K	-576.585429
Energy at 298.15K	-576.590226
HF Energy	-576.009265
Nuclear repulsion energy	140.582749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3108	8.69
2	A'	3211	3080	4.66
3	A'	3160	3030	13.97
4	A'	3058	2932	23.37
5	A'	1682	1613	19.44
6	A'	1480	1419	9.28
7	A'	1396	1339	1.96
8	A'	1308	1254	1.61
9	A'	1262	1211	20.23
10	A'	1121	1075	0.07
11	A'	971	931	33.58
12	A'	815	782	30.47
13	A'	425	407	3.67
14	A'	257	246	0.68
15	A"	3139	3010	11.89
16	A"	1466	1406	6.41
17	A"	1050	1007	1.22
18	A"	945	906	46.53
19	A"	755	724	0.39
20	A"	238	228	0.26
21	A"	203	195	1.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.458	0.000
C2	0.927	-0.518	0.000
C3	2.405	-0.229	0.000
Cl4	-1.718	0.132	0.000
H5	0.238	1.525	0.000
H6	0.597	-1.562	0.000
H7	2.599	0.854	0.000
H8	2.888	-0.668	0.888
H9	2.888	-0.668	-0.888

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3461	2.5015	1.7485	1.0928	2.1067	2.6293	3.2248	3.2248
C2	1.3461		1.5059	2.7237	2.1559	1.0954	2.1631	2.1581	2.1581
C3	2.5015	1.5059		4.1388	2.7884	2.2464	1.1008	1.1023	1.1023
Cl4	1.7485	2.7237	4.1388		2.4005	2.8687	4.3771	4.7587	4.7587
H5	1.0928	2.1559	2.7884	2.4005		3.1079	2.4551	3.5531	3.5531
H6	2.1067	1.0954	2.2464	2.8687	3.1079		3.1383	2.6151	2.6151
H7	2.6293	2.1631	1.1008	4.3771	2.4551	3.1383		1.7861	1.7861
H8	3.2248	2.1581	1.1023	4.7587	3.5531	2.6151	1.7861		1.7765
H9	3.2248	2.1581	1.1023	4.7587	3.5531	2.6151	1.7861	1.7765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.483	C1	C2	H6	118.926
C2	C1	Cl4	122.789	C2	C1	H5	123.916
C2	C3	H7	111.204	C2	C3	H8	110.724
C2	C3	H9	110.724	C3	C2	H6	118.590
Cl4	C1	H5	113.294	H7	C3	H8	108.337
H7	C3	H9	108.337	H8	C3	H9	107.386

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

using model chemistry: MP2/aug-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-chloro-1-propene(E))

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

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