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	hartrees
Energy at 0K	-576.664444
Energy at 298.15K	-576.669493
HF Energy	-576.018176
Nuclear repulsion energy	143.638254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3287	3113	9.71
2	A	3213	3043	6.69
3	A	3196	3026	3.80
4	A	3185	3017	3.57
5	A	3128	2962	17.37
6	A	1709	1619	1.13
7	A	1517	1437	6.11
8	A	1475	1397	11.15
9	A	1360	1288	26.37
10	A	1329	1258	7.54
11	A	1267	1200	1.45
12	A	1157	1096	2.16
13	A	1020	966	23.55
14	A	976	925	6.70
15	A	931	882	3.38
16	A	927	878	50.12
17	A	792	750	49.18
18	A	618	585	5.61
19	A	412	391	0.54
20	A	293	277	4.50
21	A	105	100	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	2.213	-0.201	-0.309
C2	1.120	-0.118	0.459
C3	-0.047	0.746	0.124
Cl4	-1.527	-0.244	-0.111
H5	2.297	0.353	-1.238
H6	3.052	-0.826	-0.028
H7	1.048	-0.690	1.380
H8	-0.274	1.443	0.931
H9	0.123	1.302	-0.798

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3377	2.4878	3.7449	1.0857	1.0839	2.1091	3.2285	2.6196
C2	1.3377		1.4899	2.7103	2.1181	2.1149	1.0876	2.1454	2.1417
C3	2.4878	1.4899		1.7963	2.7389	3.4785	2.2005	1.0904	1.0897
Cl4	3.7449	2.7103	1.7963		4.0308	4.6166	3.0088	2.3458	2.3634
H5	1.0857	2.1181	2.7389	4.0308		1.8515	3.0832	3.5359	2.4116
H6	1.0839	2.1149	3.4785	4.6166	1.8515		2.4531	4.1394	3.7013
H7	2.1091	1.0876	2.2005	3.0088	3.0832	2.4531		2.5501	3.0935
H8	3.2285	2.1454	1.0904	2.3458	3.5359	4.1394	2.5501		1.7801
H9	2.6196	2.1417	1.0897	2.3634	2.4116	3.7013	3.0935	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.150	C1	C2	H7	120.476
C2	C1	H5	121.505	C2	C1	H6	121.336
C2	C3	Cl4	110.779	C2	C3	H8	111.557
C2	C3	H9	111.306	C3	C2	H7	116.373
Cl4	C3	H8	106.106	Cl4	C3	H9	107.406
H5	C1	H6	117.158	H8	C3	H9	109.472

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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