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	hartrees
Energy at 0K	-569.842828
Energy at 298.15K	-569.847700
HF Energy	-569.655667
Nuclear repulsion energy	140.535422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3617	3215	0.04
2	A	3527	3135	1.13
3	A	3521	3129	1.55
4	A	3460	3076	10.04
5	A	3400	3022	0.72
6	A	1811	1610	0.59
7	A	1667	1482	0.68
8	A	1594	1417	0.74
9	A	1437	1277	14.59
10	A	1407	1251	24.53
11	A	1336	1187	1.23
12	A	1204	1070	0.34
13	A	1123	999	4.65
14	A	1027	913	8.77
15	A	1003	892	12.53
16	A	970	862	1.99
17	A	883	785	24.17
18	A	657	584	2.21
19	A	415	369	0.46
20	A	293	261	3.48
21	A	92	82	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	2.239	-0.266	-0.298
C2	1.169	-0.030	0.490
C3	-0.048	0.783	0.025
Cl4	-1.559	-0.270	-0.077
H5	2.292	0.115	-1.328
H6	3.101	-0.842	0.064
H7	1.129	-0.422	1.518
H8	-0.287	1.601	0.736
H9	0.117	1.212	-0.983

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3491	2.5366	3.8045	1.0991	1.0986	2.1339	3.3069	2.6744
C2	1.3491		1.5357	2.7974	2.1412	2.1380	1.1012	2.2003	2.1949
C3	2.5366	1.5357		1.8445	2.7845	3.5437	2.2507	1.1097	1.1086
Cl4	3.8045	2.7974	1.8445		4.0674	4.6973	3.1296	2.4037	2.4143
H5	1.0991	2.1412	2.7845	4.0674		1.8732	3.1207	3.6223	2.4596
H6	1.0986	2.1380	3.5437	4.6973	1.8732		2.4851	4.2308	3.7705
H7	2.1339	1.1012	2.2507	3.1296	3.1207	2.4851		2.5904	3.1542
H8	3.3069	2.2003	1.1097	2.4037	3.6223	4.2308	2.5904		1.8088
H9	2.6744	2.1949	1.1086	2.4143	2.4596	3.7705	3.1542	1.8088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.985	C1	C2	H7	120.788
C2	C1	H5	121.658	C2	C1	H6	121.397
C2	C3	Cl4	111.378	C2	C3	H8	111.542
C2	C3	H9	111.183	C3	C2	H7	116.226
Cl4	C3	H8	106.230	Cl4	C3	H9	107.031
H5	C1	H6	116.944	H8	C3	H9	109.253

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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