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	hartrees
Energy at 0K	-576.578457
Energy at 298.15K	-576.583503
HF Energy	-575.983801
Nuclear repulsion energy	143.131256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3309	3129	13.17
2	A	3240	3063	6.29
3	A	3215	3040	10.26
4	A	3211	3036	0.72
5	A	3149	2977	16.58
6	A	1737	1643	1.33
7	A	1530	1446	3.94
8	A	1493	1411	6.67
9	A	1362	1287	27.29
10	A	1340	1266	20.37
11	A	1261	1193	0.94
12	A	1153	1090	0.95
13	A	1022	967	24.27
14	A	974	921	5.73
15	A	945	893	41.57
16	A	933	882	5.05
17	A	782	739	48.26
18	A	612	579	5.25
19	A	409	387	0.51
20	A	292	276	4.24
21	A	106	101	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	2.229	-0.184	-0.312
C2	1.127	-0.145	0.450
C3	-0.045	0.737	0.149
Cl4	-1.539	-0.236	-0.119
H5	2.319	0.415	-1.211
H6	3.068	-0.817	-0.057
H7	1.051	-0.761	1.339
H8	-0.264	1.406	0.979
H9	0.126	1.323	-0.751

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3402	2.4959	3.7737	1.0836	1.0817	2.1090	3.2264	2.6239
C2	1.3402		1.4966	2.7280	2.1193	2.1157	1.0847	2.1495	2.1442
C3	2.4959	1.4966		1.8035	2.7460	3.4850	2.2042	1.0886	1.0879
Cl4	3.7737	2.7280	1.8035		4.0626	4.6443	3.0183	2.3518	2.3679
H5	1.0836	2.1193	2.7460	4.0626		1.8466	3.0811	3.5283	2.4176
H6	1.0817	2.1157	3.4850	4.6443	1.8466		2.4539	4.1374	3.7035
H7	2.1090	1.0847	2.2042	3.0183	3.0811	2.4539		2.5603	3.0929
H8	3.2264	2.1495	1.0886	2.3518	3.5283	4.1374	2.5603		1.7750
H9	2.6239	2.1442	1.0879	2.3679	2.4176	3.7035	3.0929	1.7750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.147	C1	C2	H7	120.485
C2	C1	H5	121.576	C2	C1	H6	121.386
C2	C3	Cl4	111.169	C2	C3	H8	111.522
C2	C3	H9	111.137	C3	C2	H7	116.365
Cl4	C3	H8	106.166	Cl4	C3	H9	107.358
H5	C1	H6	117.037	H8	C3	H9	109.280

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

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

States and conformations

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