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	hartrees
Energy at 0K	-576.819711
Energy at 298.15K	-576.824882
HF Energy	-576.050968
Nuclear repulsion energy	147.897014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3302	3135	2.50
2	A	3224	3061	3.50
3	A	3194	3033	6.04
4	A	3160	3000	2.13
5	A	3121	2963	12.57
6	A	1722	1635	8.79
7	A	1495	1419	6.56
8	A	1464	1390	7.44
9	A	1342	1274	20.20
10	A	1327	1260	1.38
11	A	1226	1164	3.25
12	A	1085	1030	3.77
13	A	1041	988	17.76
14	A	978	928	25.89
15	A	960	911	6.40
16	A	958	910	9.98
17	A	767	728	17.35
18	A	572	543	12.67
19	A	528	501	2.08
20	A	248	235	0.60
21	A	166	157	1.41

Atom	x (Å)	y (Å)	z (Å)
C1	-1.745	-0.768	-0.006
C2	-1.309	0.463	-0.001
C3	0.114	0.940	0.002
Cl4	1.361	-0.329	-0.000
H5	-1.077	-1.607	0.009
H6	-2.809	-0.957	0.022
H7	-2.053	1.247	-0.003
H8	0.224	1.550	-0.888
H9	0.221	1.546	0.894

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3066	2.5251	3.1371	1.0725	1.0803	2.0387	3.1667	3.1674
C2	1.3066		1.5008	2.7845	2.0830	2.0655	1.0809	2.0771	2.0772
C3	2.5251	1.5008		1.7783	2.8114	3.4844	2.1891	1.0839	1.0839
Cl4	3.1371	2.7845	1.7783		2.7523	4.2166	3.7599	2.3682	2.3692
H5	1.0725	2.0830	2.8114	2.7523		1.8500	3.0162	3.5297	3.5225
H6	1.0803	2.0655	3.4844	4.2166	1.8500		2.3298	4.0380	4.0252
H7	2.0387	1.0809	2.1891	3.7599	3.0162	2.3298		2.4614	2.4627
H8	3.1667	2.0771	1.0839	2.3682	3.5297	4.0380	2.4614		1.7814
H9	3.1674	2.0772	1.0839	2.3692	3.5225	4.0252	2.4627	1.7814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.034	C1	C2	H7	116.963
C2	C1	H5	121.906	C2	C1	H6	119.546
C2	C3	Cl4	115.984	C2	C3	H8	105.816
C2	C3	H9	105.828	C3	C2	H7	115.003
Cl4	C3	H8	109.251	Cl4	C3	H9	109.326
H5	C1	H6	118.487	H8	C3	H9	110.525

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

using model chemistry: MP2=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

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