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	hartrees
Energy at 0K	-576.216937
Energy at 298.15K	-576.221972
Nuclear repulsion energy	140.182379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3290	3086	19.11
2	A	3246	3044	7.44
3	A	3225	3024	2.24
4	A	3199	3000	8.02
5	A	3172	2975	13.13
6	A	1762	1652	0.61
7	A	1567	1470	5.17
8	A	1531	1436	7.34
9	A	1392	1305	0.18
10	A	1352	1268	46.63
11	A	1281	1202	0.51
12	A	1162	1089	1.64
13	A	1058	992	17.72
14	A	1009	946	49.62
15	A	988	926	10.14
16	A	941	883	3.10
17	A	746	699	60.53
18	A	586	549	18.21
19	A	415	389	1.49
20	A	287	269	5.77
21	A	102	96	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	2.249	-0.257	-0.297
C2	1.165	-0.064	0.471
C3	0.004	0.788	0.060
Cl4	-1.583	-0.257	-0.087
H5	2.339	0.181	-1.288
H6	3.085	-0.862	0.039
H7	1.094	-0.525	1.454
H8	-0.251	1.548	0.797
H9	0.142	1.237	-0.923

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3420	2.5012	3.8379	1.0879	1.0855	2.1141	3.2711	2.6572
C2	1.3420		1.4975	2.8114	2.1293	2.1236	1.0878	2.1699	2.1638
C3	2.5012	1.4975		1.9064	2.7634	3.4948	2.2034	1.0890	1.0893
Cl4	3.8379	2.8114	1.9064		4.1259	4.7093	3.1008	2.4115	2.4309
H5	1.0879	2.1293	2.7634	4.1259		1.8458	3.0933	3.5946	2.4644
H6	1.0855	2.1236	3.4948	4.7093	1.8458		2.4656	4.1843	3.7404
H7	2.1141	1.0878	2.2034	3.1008	3.0933	2.4656		2.5569	3.1080
H8	3.2711	2.1699	1.0890	2.4115	3.5946	4.1843	2.5569		1.7913
H9	2.6572	2.1638	1.0893	2.4309	2.4644	3.7404	3.1080	1.7913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.405	C1	C2	H7	120.573
C2	C1	H5	122.047	C2	C1	H6	121.686
C2	C3	Cl4	110.799	C2	C3	H8	113.110
C2	C3	H9	112.590	C3	C2	H7	116.019
Cl4	C3	H8	103.870	Cl4	C3	H9	105.194
H5	C1	H6	116.266	H8	C3	H9	110.638

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

using model chemistry: CISD/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-Propene, 3-chloro-)

using model chemistry: CISD/6-31G

States and conformations

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