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	hartrees
Energy at 0K	-573.691351
Energy at 298.15K	-573.696139
HF Energy	-573.245116
Nuclear repulsion energy	140.121079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3067	6.57
2	A'	3161	3024	5.70
3	A'	3102	2968	15.12
4	A'	3035	2903	16.36
5	A'	1702	1628	19.77
6	A'	1575	1506	9.10
7	A'	1485	1420	2.79
8	A'	1369	1310	1.96
9	A'	1336	1278	13.14
10	A'	1128	1079	6.14
11	A'	964	922	11.28
12	A'	800	765	29.45
13	A'	425	406	4.59
14	A'	267	255	0.64
15	A"	3091	2957	16.96
16	A"	1566	1498	7.30
17	A"	1122	1074	0.06
18	A"	979	937	57.13
19	A"	795	761	0.23
20	A"	233	222	0.29
21	A"	181	173	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.461	0.000
C2	0.928	-0.500	0.000
C3	2.425	-0.209	0.000
Cl4	-1.728	0.113	0.000
H5	0.224	1.523	0.000
H6	0.625	-1.547	0.000
H7	2.612	0.874	0.000
H8	2.901	-0.644	0.890
H9	2.901	-0.644	-0.890

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3353	2.5154	1.7629	1.0860	2.1030	2.6448	3.2296	3.2296
C2	1.3353		1.5248	2.7261	2.1418	1.0906	2.1734	2.1695	2.1695
C3	2.5154	1.5248		4.1656	2.8005	2.2428	1.0989	1.0996	1.0996
Cl4	1.7629	2.7261	4.1656		2.4082	2.8805	4.4068	4.7749	4.7749
H5	1.0860	2.1418	2.8005	2.4082		3.0967	2.4750	3.5580	3.5580
H6	2.1030	1.0906	2.2428	2.8805	3.0967		3.1324	2.6051	2.6051
H7	2.6448	2.1734	1.0989	4.4068	2.4750	3.1324		1.7838	1.7838
H8	3.2296	2.1695	1.0996	4.7749	3.5580	2.6051	1.7838		1.7798
H9	3.2296	2.1695	1.0996	4.7749	3.5580	2.6051	1.7838	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.029	C1	C2	H6	119.859
C2	C1	Cl4	122.668	C2	C1	H5	124.073
C2	C3	H7	110.824	C2	C3	H8	110.470
C2	C3	H9	110.470	C3	C2	H6	117.112
Cl4	C1	H5	113.259	H7	C3	H8	108.466
H7	C3	H9	108.466	H8	C3	H9	108.063

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

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

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