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	hartrees
Energy at 0K	-573.451319
Energy at 298.15K	-573.456242
Nuclear repulsion energy	143.032791

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3328	3101	3.63
2	A'	3216	2996	7.52
3	A'	3201	2982	1.52
4	A'	3111	2898	12.48
5	A'	1770	1649	13.97
6	A'	1599	1490	4.82
7	A'	1516	1412	6.93
8	A'	1421	1324	45.74
9	A'	1312	1222	2.39
10	A'	1149	1070	1.19
11	A'	945	881	13.35
12	A'	720	671	38.97
13	A'	545	507	6.62
14	A'	240	223	1.42
15	A"	3160	2944	14.91
16	A"	1604	1495	10.43
17	A"	1155	1076	0.14
18	A"	1020	951	1.61
19	A"	757	706	65.09
20	A"	410	382	2.44
21	A"	114	106	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.962	0.000
C2	-1.245	0.518	0.000
C3	-1.706	-0.923	0.000
Cl4	1.466	-0.162	0.000
H5	0.302	1.995	0.000
H6	-2.026	1.273	0.000
H7	-0.853	-1.602	0.000
H8	-2.317	-1.123	0.885
H9	-2.317	-1.123	-0.885

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3214	2.5423	1.8470	1.0767	2.0495	2.7015	3.2402	3.2402
C2	1.3214		1.5131	2.7942	2.1391	1.0867	2.1552	2.1508	2.1508
C3	2.5423	1.5131		3.2616	3.5427	2.2197	1.0898	1.0941	1.0941
Cl4	1.8470	2.7942	3.2616		2.4509	3.7749	2.7291	4.0020	4.0020
H5	1.0767	2.1391	3.5427	2.4509		2.4375	3.7777	4.1675	4.1675
H6	2.0495	1.0867	2.2197	3.7749	2.4375		3.1049	2.5710	2.5710
H7	2.7015	2.1552	1.0898	2.7291	3.7777	3.1049		1.7767	1.7767
H8	3.2402	2.1508	1.0941	4.0020	4.1675	2.5710	1.7767		1.7704
H9	3.2402	2.1508	1.0941	4.0020	4.1675	2.5710	1.7767	1.7704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.385	C1	C2	H6	116.322
C2	C1	Cl4	122.886	C2	C1	H5	125.946
C2	C3	H7	110.743	C2	C3	H8	110.128
C2	C3	H9	110.128	C3	C2	H6	116.293
Cl4	C1	H5	111.168	H7	C3	H8	108.885
H7	C3	H9	108.885	H8	C3	H9	108.010

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

using model chemistry: CID/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(Z))

using model chemistry: CID/3-21G

States and conformations

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