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	hartrees
Energy at 0K	-573.666443
Energy at 298.15K	-573.671261
HF Energy	-573.245513
Nuclear repulsion energy	140.400039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3077	6.51
2	A'	3205	3038	4.62
3	A'	3154	2990	12.85
4	A'	3080	2919	14.81
5	A'	1686	1598	19.84
6	A'	1591	1509	10.29
7	A'	1497	1419	2.66
8	A'	1379	1307	2.24
9	A'	1345	1275	13.79
10	A'	1138	1079	7.62
11	A'	974	923	14.40
12	A'	803	761	35.05
13	A'	427	405	5.55
14	A'	268	254	0.61
15	A"	3145	2982	14.29
16	A"	1584	1502	7.71
17	A"	1134	1075	0.09
18	A"	995	943	61.30
19	A"	796	754	0.35
20	A"	237	225	0.37
21	A"	187	178	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.460	0.000
C2	0.928	-0.502	0.000
C3	2.419	-0.210	0.000
Cl4	-1.725	0.115	0.000
H5	0.225	1.519	0.000
H6	0.622	-1.545	0.000
H7	2.603	0.870	0.000
H8	2.895	-0.643	0.887
H9	2.895	-0.643	-0.887

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3362	2.5100	1.7589	1.0832	2.0995	2.6352	3.2226	3.2226
C2	1.3362		1.5194	2.7235	2.1401	1.0875	2.1652	2.1626	2.1626
C3	2.5100	1.5194		4.1566	2.7940	2.2387	1.0954	1.0958	1.0958
Cl4	1.7589	2.7235	4.1566		2.4025	2.8751	4.3933	4.7651	4.7651
H5	1.0832	2.1401	2.7940	2.4025		3.0905	2.4657	3.5491	3.5491
H6	2.0995	1.0875	2.2387	2.8751	3.0905		3.1237	2.6013	2.6013
H7	2.6352	2.1652	1.0954	4.3933	2.4657	3.1237		1.7780	1.7780
H8	3.2226	2.1626	1.0958	4.7651	3.5491	2.6013	1.7780		1.7736
H9	3.2226	2.1626	1.0958	4.7651	3.5491	2.6013	1.7780	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.906	C1	C2	H6	119.698
C2	C1	Cl4	122.682	C2	C1	H5	124.057
C2	C3	H7	110.749	C2	C3	H8	110.518
C2	C3	H9	110.518	C3	C2	H6	117.396
Cl4	C1	H5	113.261	H7	C3	H8	108.465
H7	C3	H9	108.465	H8	C3	H9	108.042

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

using model chemistry: MP2=FULL/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=FULL/3-21G*

States and conformations

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