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	hartrees
Energy at 0K	-576.550474
Energy at 298.15K	-576.555237
HF Energy	-575.971816
Nuclear repulsion energy	140.891701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3221	3099
2	A'	3182	3061
3	A'	3133	3014
4	A'	3047	2932
5	A'	1710	1645
6	A'	1535	1477
7	A'	1460	1405
8	A'	1340	1290
9	A'	1307	1257
10	A'	1139	1095
11	A'	988	951
12	A'	828	797
13	A'	426	410
14	A'	262	252
15	A"	3112	2994
16	A"	1522	1465
17	A"	1084	1043
18	A"	954	918
19	A"	750	721
20	A"	233	224
21	A"	188	181

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.456	0.000
C2	0.923	-0.516	0.000
C3	2.402	-0.237	0.000
Cl4	-1.715	0.137	0.000
H5	0.239	1.517	0.000
H6	0.601	-1.559	0.000
H7	2.604	0.842	0.000
H8	2.882	-0.677	0.885
H9	2.882	-0.677	-0.885

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3398	2.4996	1.7444	1.0881	2.1022	2.6329	3.2204	3.2204
C2	1.3398		1.5050	2.7176	2.1450	1.0916	2.1610	2.1556	2.1556
C3	2.4996	1.5050		4.1339	2.7850	2.2338	1.0974	1.0991	1.0991
Cl4	1.7444	2.7176	4.1339		2.3920	2.8709	4.3766	4.7515	4.7515
H5	1.0881	2.1450	2.7850	2.3920		3.0973	2.4603	3.5475	3.5475
H6	2.1022	1.0916	2.2338	2.8709	3.0973		3.1265	2.6002	2.6002
H7	2.6329	2.1610	1.0974	4.3766	2.4603	3.1265		1.7799	1.7799
H8	3.2204	2.1556	1.0991	4.7515	3.5475	2.6002	1.7799		1.7707
H9	3.2204	2.1556	1.0991	4.7515	3.5475	2.6002	1.7799	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.858	C1	C2	H6	119.329
C2	C1	Cl4	123.018	C2	C1	H5	123.797
C2	C3	H7	111.315	C2	C3	H8	110.775
C2	C3	H9	110.775	C3	C2	H6	117.813
Cl4	C1	H5	113.185	H7	C3	H8	108.255
H7	C3	H9	108.255	H8	C3	H9	107.323

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

using model chemistry: CCSD(T)/6-31G*

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: CCSD(T)/6-31G*

States and conformations

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