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	hartrees
Energy at 0K	-576.573423
Energy at 298.15K	-576.578488
HF Energy	-575.983938
Nuclear repulsion energy	143.337021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3320	3129	12.62
2	A	3250	3062	6.08
3	A	3226	3040	10.23
4	A	3222	3036	0.40
5	A	3159	2977	16.16
6	A	1753	1652	1.16
7	A	1534	1445	4.01
8	A	1498	1411	6.92
9	A	1370	1290	27.68
10	A	1345	1268	17.25
11	A	1267	1194	0.93
12	A	1158	1091	0.94
13	A	1028	968	23.59
14	A	979	922	5.71
15	A	952	897	42.16
16	A	936	882	5.49
17	A	795	749	45.27
18	A	618	582	4.80
19	A	412	388	0.47
20	A	293	277	4.01
21	A	106	100	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	2.225	-0.183	-0.312
C2	1.127	-0.144	0.449
C3	-0.046	0.735	0.149
Cl4	-1.537	-0.236	-0.119
H5	2.314	0.415	-1.211
H6	3.065	-0.815	-0.058
H7	1.052	-0.760	1.338
H8	-0.263	1.405	0.979
H9	0.126	1.322	-0.749

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3375	2.4932	3.7678	1.0830	1.0811	2.1061	3.2221	2.6198
C2	1.3375		1.4961	2.7251	2.1164	2.1129	1.0841	2.1478	2.1419
C3	2.4932	1.4961		1.7988	2.7431	3.4820	2.2031	1.0882	1.0873
Cl4	3.7678	2.7251	1.7988		4.0559	4.6387	3.0167	2.3492	2.3644
H5	1.0830	2.1164	2.7431	4.0559		1.8452	3.0779	3.5237	2.4133
H6	1.0811	2.1129	3.4820	4.6387	1.8452		2.4509	4.1330	3.6988
H7	2.1061	1.0841	2.2031	3.0167	3.0779	2.4509		2.5587	3.0903
H8	3.2221	2.1478	1.0882	2.3492	3.5237	4.1330	2.5587		1.7729
H9	2.6198	2.1419	1.0873	2.3644	2.4133	3.6988	3.0903	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.158	C1	C2	H7	120.487
C2	C1	H5	121.591	C2	C1	H6	121.405
C2	C3	Cl4	111.265	C2	C3	H8	111.448
C2	C3	H9	111.022	C3	C2	H7	116.354
Cl4	C3	H8	106.301	Cl4	C3	H9	107.446
H5	C1	H6	117.004	H8	C3	H9	109.163

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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