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	hartrees
Energy at 0K	-576.685803
Energy at 298.15K	-576.690851
HF Energy	-575.990703
Nuclear repulsion energy	143.323213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3284	3111	7.72
2	A	3222	3053	3.48
3	A	3197	3028	4.36
4	A	3192	3024	1.34
5	A	3133	2968	11.82
6	A	1729	1638	1.06
7	A	1516	1436	4.09
8	A	1472	1395	6.50
9	A	1342	1271	2.82
10	A	1311	1242	33.49
11	A	1248	1183	0.61
12	A	1135	1075	0.84
13	A	1040	985	12.94
14	A	973	922	31.51
15	A	968	917	5.64
16	A	919	871	4.74
17	A	782	741	46.40
18	A	618	585	5.64
19	A	407	385	0.66
20	A	291	275	4.34
21	A	107	102	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	2.225	-0.177	-0.311
C2	1.125	-0.156	0.442
C3	-0.042	0.736	0.160
Cl4	-1.536	-0.234	-0.122
H5	2.324	0.448	-1.191
H6	3.063	-0.820	-0.071
H7	1.037	-0.795	1.315
H8	-0.268	1.390	1.002
H9	0.118	1.340	-0.732

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3329	2.4894	3.7665	1.0847	1.0830	2.1060	3.2244	2.6299
C2	1.3329		1.4962	2.7219	2.1142	2.1117	1.0855	2.1552	2.1515
C3	2.4894	1.4962		1.8037	2.7401	3.4812	2.2009	1.0900	1.0889
Cl4	3.7665	2.7219	1.8037		4.0634	4.6366	3.0001	2.3472	2.3639
H5	1.0847	2.1142	2.7401	4.0634		1.8467	3.0794	3.5241	2.4228
H6	1.0830	2.1117	3.4812	4.6366	1.8467		2.4546	4.1393	3.7111
H7	2.1060	1.0855	2.2009	3.0001	3.0794	2.4546		2.5643	3.0970
H8	3.2244	2.1552	1.0900	2.3472	3.5241	4.1393	2.5643		1.7780
H9	2.6299	2.1515	1.0889	2.3639	2.4228	3.7111	3.0970	1.7780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.160	C1	C2	H7	120.775
C2	C1	H5	121.633	C2	C1	H6	121.526
C2	C3	Cl4	110.797	C2	C3	H8	111.926
C2	C3	H9	111.694	C3	C2	H7	116.063
Cl4	C3	H8	105.762	Cl4	C3	H9	107.004
H5	C1	H6	116.841	H8	C3	H9	109.373

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

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

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