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	hartrees
Energy at 0K	-577.476450
Energy at 298.15K	-577.481463
Nuclear repulsion energy	143.217327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3281	3111	11.20
2	A	3214	3048	6.34
3	A	3192	3027	9.58
4	A	3187	3022	0.55
5	A	3124	2962	15.35
6	A	1751	1660	0.99
7	A	1516	1437	5.51
8	A	1473	1397	7.96
9	A	1344	1275	5.44
10	A	1312	1244	34.49
11	A	1250	1185	1.09
12	A	1141	1082	1.28
13	A	1038	985	14.03
14	A	969	919	8.23
15	A	968	918	41.81
16	A	920	872	7.05
17	A	765	726	60.77
18	A	612	580	9.04
19	A	406	385	0.86
20	A	286	271	6.24
21	A	109	103	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	2.226	-0.179	-0.312
C2	1.129	-0.152	0.441
C3	-0.036	0.730	0.158
Cl4	-1.542	-0.232	-0.120
H5	2.323	0.433	-1.204
H6	3.070	-0.814	-0.062
H7	1.050	-0.782	1.324
H8	-0.262	1.388	1.000
H9	0.123	1.335	-0.735

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3303	2.4828	3.7735	1.0866	1.0848	2.1024	3.2195	2.6261
C2	1.3303		1.4885	2.7312	2.1146	2.1111	1.0873	2.1489	2.1465
C3	2.4828	1.4885		1.8089	2.7396	3.4753	2.1963	1.0919	1.0904
Cl4	3.7735	2.7312	1.8089		4.0686	4.6489	3.0178	2.3488	2.3680
H5	1.0866	2.1146	2.7396	4.0686		1.8486	3.0796	3.5280	2.4232
H6	1.0848	2.1111	3.4753	4.6489	1.8486		2.4497	4.1323	3.7089
H7	2.1024	1.0873	2.1963	3.0178	3.0796	2.4497		2.5559	3.0951
H8	3.2195	2.1489	1.0919	2.3488	3.5280	4.1323	2.5559		1.7777
H9	2.6261	2.1465	1.0904	2.3680	2.4232	3.7089	3.0951	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.372	C1	C2	H7	120.492
C2	C1	H5	121.742	C2	C1	H6	121.546
C2	C3	Cl4	111.475	C2	C3	H8	111.856
C2	C3	H9	111.745	C3	C2	H7	116.131
Cl4	C3	H8	105.457	Cl4	C3	H9	106.894
H5	C1	H6	116.712	H8	C3	H9	109.102

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

using model chemistry: mPW1PW91/6-31G*

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: mPW1PW91/6-31G*

States and conformations

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