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	hartrees
Energy at 0K	-576.516689
Energy at 298.15K	-576.521819
Nuclear repulsion energy	143.805355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3329	3093	13.39
2	A	3268	3036	8.23
3	A	3252	3022	4.03
4	A	3237	3007	5.42
5	A	3191	2965	19.20
6	A	1795	1668	1.26
7	A	1558	1447	5.86
8	A	1516	1408	11.78
9	A	1396	1297	27.21
10	A	1368	1271	15.22
11	A	1299	1207	1.09
12	A	1182	1099	2.17
13	A	1065	990	19.39
14	A	999	928	50.07
15	A	996	925	5.91
16	A	954	887	7.24
17	A	810	752	58.54
18	A	635	590	6.71
19	A	422	392	0.72
20	A	300	278	4.45
21	A	108	100	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	2.219	-0.176	-0.309
C2	1.124	-0.153	0.438
C3	-0.045	0.732	0.158
Cl4	-1.533	-0.233	-0.121
H5	2.320	0.440	-1.192
H6	3.054	-0.816	-0.064
H7	1.041	-0.789	1.311
H8	-0.263	1.380	1.001
H9	0.117	1.335	-0.728

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3255	2.4832	3.7570	1.0818	1.0800	2.0943	3.2089	2.6229
C2	1.3255		1.4926	2.7165	2.1072	2.1013	1.0829	2.1429	2.1425
C3	2.4832	1.4926		1.7956	2.7388	3.4707	2.1955	1.0853	1.0841
Cl4	3.7570	2.7165	1.7956		4.0557	4.6243	2.9978	2.3397	2.3558
H5	1.0818	2.1072	2.7388	4.0557		1.8408	3.0678	3.5162	2.4232
H6	1.0800	2.1013	3.4707	4.6243	1.8408		2.4376	4.1180	3.7007
H7	2.0943	1.0829	2.1955	2.9978	3.0678	2.4376		2.5499	3.0860
H8	3.2089	2.1429	1.0853	2.3397	3.5162	4.1180	2.5499		1.7703
H9	2.6229	2.1425	1.0841	2.3558	2.4232	3.7007	3.0860	1.7703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.459	C1	C2	H7	120.482
C2	C1	H5	121.839	C2	C1	H6	121.403
C2	C3	Cl4	111.077	C2	C3	H8	111.482
C2	C3	H9	111.518	C3	C2	H7	116.057
Cl4	C3	H8	105.970	Cl4	C3	H9	107.183
H5	C1	H6	116.758	H8	C3	H9	109.371

All results from a given calculation for C₃H₅Cl (1-Propene, 3-chloro-)

using model chemistry: CID/6-311G*

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-Propene, 3-chloro-)

using model chemistry: CID/6-311G*

States and conformations

All results from a given calculation for C₃H₅Cl (1-Propene, 3-chloro-)