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	hartrees
Energy at 0K	-576.584163
Energy at 298.15K	-576.589181
HF Energy	-576.010154
Nuclear repulsion energy	142.478253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3285	3151	7.42
2	A	3211	3079	3.54
3	A	3183	3052	2.71
4	A	3178	3047	3.12
5	A	3110	2982	12.72
6	A	1685	1616	1.35
7	A	1475	1415	5.72
8	A	1442	1383	5.82
9	A	1312	1259	1.97
10	A	1274	1222	30.74
11	A	1226	1175	1.27
12	A	1119	1073	0.88
13	A	1004	963	22.34
14	A	962	923	5.22
15	A	949	910	33.43
16	A	902	865	5.10
17	A	761	730	50.60
18	A	605	581	6.25
19	A	402	386	0.58
20	A	288	276	5.30
21	A	109	104	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	2.231	-0.195	-0.314
C2	1.124	-0.134	0.458
C3	-0.039	0.752	0.140
Cl4	-1.540	-0.242	-0.117
H5	2.313	0.397	-1.231
H6	3.073	-0.835	-0.045
H7	1.049	-0.740	1.368
H8	-0.279	1.434	0.968
H9	0.125	1.324	-0.783

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3503	2.5006	3.7758	1.0943	1.0924	2.1263	3.2545	2.6381
C2	1.3503		1.4964	2.7278	2.1325	2.1318	1.0956	2.1649	2.1598
C3	2.5006	1.4964		1.8183	2.7457	3.4988	2.2172	1.0989	1.0986
Cl4	3.7758	2.7278	1.8183		4.0614	4.6518	3.0254	2.3614	2.3806
H5	1.0943	2.1325	2.7457	4.0614		1.8714	3.1053	3.5534	2.4183
H6	1.0924	2.1318	3.4988	4.6518	1.8714		2.4706	4.1731	3.7284
H7	2.1263	1.0956	2.2172	3.0254	3.1053	2.4706		2.5789	3.1208
H8	3.2545	2.1649	1.0989	2.3614	3.5534	4.1731	2.5789		1.8001
H9	2.6381	2.1598	1.0986	2.3806	2.4183	3.7284	3.1208	1.8001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.829	C1	C2	H7	120.406
C2	C1	H5	121.105	C2	C1	H6	121.192
C2	C3	Cl4	110.385	C2	C3	H8	112.156
C2	C3	H9	111.758	C3	C2	H7	116.763
Cl4	C3	H8	105.420	Cl4	C3	H9	106.793
H5	C1	H6	117.703	H8	C3	H9	110.005

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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