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	hartrees
Energy at 0K	-576.214565
Energy at 298.15K	-576.219381
Nuclear repulsion energy	138.628999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3307	3093	6.81
2	A'	3235	3025	7.62
3	A'	3166	2961	20.28
4	A'	3087	2887	24.30
5	A'	1772	1657	18.26
6	A'	1581	1479	10.00
7	A'	1515	1417	2.75
8	A'	1388	1298	1.95
9	A'	1330	1244	26.82
10	A'	1158	1083	2.40
11	A'	1005	940	14.06
12	A'	782	731	38.25
13	A'	417	390	5.82
14	A'	262	245	0.89
15	A"	3151	2947	22.44
16	A"	1567	1465	8.89
17	A"	1146	1072	0.27
18	A"	1011	946	66.29
19	A"	826	772	1.79
20	A"	235	219	0.15
21	A"	189	176	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.468	0.000
C2	0.983	-0.431	0.000
C3	2.450	-0.056	0.000
Cl4	-1.763	-0.002	0.000
H5	0.128	1.542	0.000
H6	0.744	-1.492	0.000
H7	2.582	1.032	0.000
H8	2.956	-0.461	0.885
H9	2.956	-0.461	-0.885

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3321	2.5056	1.8243	1.0816	2.0963	2.6426	3.2220	3.2220
C2	1.3321		1.5144	2.7791	2.1502	1.0877	2.1669	2.1622	2.1622
C3	2.5056	1.5144		4.2133	2.8188	2.2303	1.0956	1.0968	1.0968
Cl4	1.8243	2.7791	4.2133		2.4409	2.9160	4.4658	4.8225	4.8225
H5	1.0816	2.1502	2.8188	2.4409		3.0957	2.5062	3.5763	3.5763
H6	2.0963	1.0877	2.2303	2.9160	3.0957		3.1221	2.5958	2.5958
H7	2.6426	2.1669	1.0956	4.4658	2.5062	3.1221		1.7753	1.7753
H8	3.2220	2.1622	1.0968	4.8225	3.5763	2.5958	1.7753		1.7702
H9	3.2220	2.1622	1.0968	4.8225	3.5763	2.5958	1.7753	1.7702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.222	C1	C2	H6	119.730
C2	C1	Cl4	122.637	C2	C1	H5	125.642
C2	C3	H7	111.233	C2	C3	H8	110.783
C2	C3	H9	110.783	C3	C2	H6	117.048
Cl4	C1	H5	111.721	H7	C3	H8	108.148
H7	C3	H9	108.148	H8	C3	H9	107.613

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

using model chemistry: CID/6-31G

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/6-31G

States and conformations

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