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	hartrees
Energy at 0K	-131.445780
Energy at 298.15K	-131.450723
HF Energy	-131.153693
Nuclear repulsion energy	94.533047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3261	3140	27.13
2	A	3197	3079	17.64
3	A	3179	3062	3.80
4	A	3143	3028	10.86
5	A	3106	2991	28.81
6	A	1657	1596	1.82
7	A	1519	1463	7.01
8	A	1482	1427	7.21
9	A	1350	1300	19.05
10	A	1329	1280	10.17
11	A	1248	1202	0.72
12	A	1129	1087	1.79
13	A	1018	981	35.52
14	A	954	919	8.95
15	A	928	893	2.43
16	A	898	865	57.39
17	A	729	702	42.63
18	A	577	556	7.88
19	A	399	384	0.67
20	A	279	269	5.65
21	A	107	103	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	2.274	-0.254	-0.304
C2	1.167	-0.070	0.480
C3	-0.007	0.794	0.066
Cl4	-1.592	-0.260	-0.091
H5	2.357	0.204	-1.295
H6	3.114	-0.866	0.033
H7	1.103	-0.551	1.463
H8	-0.260	1.553	0.819
H9	0.144	1.253	-0.920

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3682	2.5368	3.8714	1.0950	1.0930	2.1404	3.3081	2.6800
C2	1.3682		1.5153	2.8242	2.1541	2.1500	1.0963	2.1876	2.1810
C3	2.5368	1.5153		1.9095	2.7908	3.5351	2.2339	1.0984	1.0989
Cl4	3.8714	2.8242	1.9095		4.1540	4.7466	3.1245	2.4263	2.4474
H5	1.0950	2.1541	2.7908	4.1540		1.8662	3.1225	3.6243	2.4766
H6	1.0930	2.1500	3.5351	4.7466	1.8662		2.4878	4.2251	3.7704
H7	2.1404	1.0963	2.2339	3.1245	3.1225	2.4878		2.5879	3.1388
H8	3.3081	2.1876	1.0984	2.4263	3.6243	4.2251	2.5879		1.8108
H9	2.6800	2.1810	1.0989	2.4474	2.4766	3.7704	3.1388	1.8108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.153	C1	C2	H7	120.163
C2	C1	H5	121.587	C2	C1	H6	121.353
C2	C3	Cl4	110.573	C2	C3	H8	112.674
C2	C3	H9	112.102	C3	C2	H7	116.681
Cl4	C3	H8	104.278	Cl4	C3	H9	105.706
H5	C1	H6	117.059	H8	C3	H9	110.998

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

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

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