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	hartrees
Energy at 0K	-573.649617
Energy at 298.15K	-573.654434
HF Energy	-573.245474
Nuclear repulsion energy	140.372969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3088	6.53
2	A'	3204	3048	4.64
3	A'	3154	3000	12.91
4	A'	3079	2929	14.87
5	A'	1685	1603	19.86
6	A'	1591	1514	10.28
7	A'	1497	1424	2.66
8	A'	1379	1312	2.39
9	A'	1345	1279	13.66
10	A'	1138	1082	7.66
11	A'	974	926	14.38
12	A'	803	764	35.16
13	A'	427	406	5.57
14	A'	268	255	0.61
15	A"	3145	2992	14.38
16	A"	1584	1507	7.68
17	A"	1133	1078	0.09
18	A"	994	946	61.28
19	A"	794	756	0.35
20	A"	237	225	0.36
21	A"	187	178	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.459	0.000
C2	0.928	-0.502	0.000
C3	2.420	-0.210	0.000
Cl4	-1.725	0.115	0.000
H5	0.224	1.519	0.000
H6	0.623	-1.546	0.000
H7	2.603	0.870	0.000
H8	2.896	-0.643	0.887
H9	2.896	-0.643	-0.887

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3365	2.5103	1.7592	1.0833	2.1001	2.6353	3.2230	3.2230
C2	1.3365		1.5198	2.7243	2.1405	1.0876	2.1655	2.1629	2.1629
C3	2.5103	1.5198		4.1574	2.7942	2.2391	1.0956	1.0960	1.0960
Cl4	1.7592	2.7243	4.1574		2.4025	2.8766	4.3937	4.7661	4.7661
H5	1.0833	2.1405	2.7942	2.4025		3.0912	2.4656	3.5493	3.5493
H6	2.1001	1.0876	2.2391	2.8766	3.0912		3.1241	2.6016	2.6016
H7	2.6353	2.1655	1.0956	4.3937	2.4656	3.1241		1.7783	1.7783
H8	3.2230	2.1629	1.0960	4.7661	3.5493	2.6016	1.7783		1.7739
H9	3.2230	2.1629	1.0960	4.7661	3.5493	2.6016	1.7783	1.7739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.886	C1	C2	H6	119.722
C2	C1	Cl4	122.705	C2	C1	H5	124.060
C2	C3	H7	110.744	C2	C3	H8	110.513
C2	C3	H9	110.513	C3	C2	H6	117.392
Cl4	C1	H5	113.235	H7	C3	H8	108.470
H7	C3	H9	108.470	H8	C3	H9	108.048

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

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(E))

using model chemistry: MP2/3-21G*

States and conformations

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