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	hartrees
Energy at 0K	-573.455447
Energy at 298.15K	-573.460195
HF Energy	-573.136975
Nuclear repulsion energy	137.951180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3128	3.92
2	A'	3214	3067	2.67
3	A'	3157	3013	12.47
4	A'	3081	2941	14.31
5	A'	1693	1616	22.56
6	A'	1591	1518	11.02
7	A'	1496	1427	2.44
8	A'	1376	1313	0.74
9	A'	1302	1243	30.62
10	A'	1125	1074	6.01
11	A'	967	923	10.72
12	A'	745	711	34.06
13	A'	403	384	6.66
14	A'	254	243	0.64
15	A"	3148	3005	13.29
16	A"	1585	1513	7.98
17	A"	1135	1084	0.04
18	A"	996	950	68.79
19	A"	793	757	1.20
20	A"	229	219	0.26
21	A"	187	179	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.484	0.000
C2	0.996	-0.399	0.000
C3	2.461	0.009	0.000
Cl4	-1.771	-0.058	0.000
H5	0.097	1.561	0.000
H6	0.773	-1.463	0.000
H7	2.560	1.100	0.000
H8	2.968	-0.386	0.887
H9	2.968	-0.386	-0.887

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3312	2.5068	1.8525	1.0811	2.0951	2.6334	3.2180	3.2180
C2	1.3312		1.5214	2.7880	2.1562	1.0867	2.1669	2.1628	2.1628
C3	2.5068	1.5214		4.2332	2.8277	2.2398	1.0953	1.0958	1.0958
Cl4	1.8525	2.7880	4.2332		2.4726	2.9065	4.4838	4.8330	4.8330
H5	1.0811	2.1562	2.8277	2.4726		3.0984	2.5057	3.5806	3.5806
H6	2.0951	1.0867	2.2398	2.9065	3.0984		3.1244	2.6007	2.6007
H7	2.6334	2.1669	1.0953	4.4838	2.5057	3.1244		1.7785	1.7785
H8	3.2180	2.1628	1.0958	4.8330	3.5806	2.6007	1.7785		1.7746
H9	3.2180	2.1628	1.0958	4.8330	3.5806	2.6007	1.7785	1.7746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.849	C1	C2	H6	119.765
C2	C1	Cl4	121.394	C2	C1	H5	126.408
C2	C3	H7	110.757	C2	C3	H8	110.403
C2	C3	H9	110.403	C3	C2	H6	117.386
Cl4	C1	H5	112.199	H7	C3	H8	108.531
H7	C3	H9	108.531	H8	C3	H9	108.141

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))