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	hartrees
Energy at 0K	-576.518576
Energy at 298.15K	-576.523471
Nuclear repulsion energy	141.897387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3309	3074	11.50
2	A'	3265	3034	8.44
3	A'	3214	2986	18.01
4	A'	3127	2905	25.29
5	A'	1797	1669	16.31
6	A'	1564	1453	12.37
7	A'	1495	1389	2.70
8	A'	1384	1286	4.29
9	A'	1343	1248	14.18
10	A'	1167	1084	1.46
11	A'	1012	940	28.99
12	A'	853	792	36.91
13	A'	443	411	4.02
14	A'	270	251	0.70
15	A"	3191	2965	20.42
16	A"	1552	1442	9.70
17	A"	1122	1042	1.06
18	A"	1007	936	60.74
19	A"	809	752	1.04
20	A"	243	226	0.53
21	A"	197	183	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.454	0.000
C2	0.916	-0.499	0.000
C3	2.390	-0.226	0.000
Cl4	-1.705	0.126	0.000
H5	0.226	1.508	0.000
H6	0.598	-1.534	0.000
H7	2.600	0.842	0.000
H8	2.863	-0.666	0.878
H9	2.863	-0.666	-0.878

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3213	2.4849	1.7362	1.0785	2.0759	2.6293	3.1971	3.1971
C2	1.3213		1.4999	2.6940	2.1226	1.0829	2.1533	2.1428	2.1428
C3	2.4849	1.4999		4.1103	2.7734	2.2194	1.0878	1.0898	1.0898
Cl4	1.7362	2.6940	4.1103		2.3744	2.8390	4.3646	4.7187	4.7187
H5	1.0785	2.1226	2.7734	2.3744		3.0652	2.4666	3.5290	3.5290
H6	2.0759	1.0829	2.2194	2.8390	3.0652		3.1074	2.5800	2.5800
H7	2.6293	2.1533	1.0878	4.3646	2.4666	3.1074		1.7640	1.7640
H8	3.1971	2.1428	1.0898	4.7187	3.5290	2.5800	1.7640		1.7550
H9	3.1971	2.1428	1.0898	4.7187	3.5290	2.5800	1.7640	1.7550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.353	C1	C2	H6	119.081
C2	C1	Cl4	122.985	C2	C1	H5	124.066
C2	C3	H7	111.650	C2	C3	H8	110.676
C2	C3	H9	110.676	C3	C2	H6	117.566
Cl4	C1	H5	112.949	H7	C3	H8	108.211
H7	C3	H9	108.211	H8	C3	H9	107.265

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

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

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