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	hartrees
Energy at 0K	-576.548148
Energy at 298.15K	-576.553216
HF Energy	-575.979542
Nuclear repulsion energy	143.753162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3349	3129	9.80
2	A	3269	3054	5.63
3	A	3245	3032	8.33
4	A	3241	3029	0.70
5	A	3171	2963	16.51
6	A	1740	1626	0.65
7	A	1541	1440	3.53
8	A	1499	1401	6.67
9	A	1364	1274	21.52
10	A	1341	1253	19.07
11	A	1273	1189	1.16
12	A	1162	1086	1.00
13	A	1044	975	17.59
14	A	984	919	5.95
15	A	952	890	35.20
16	A	934	873	4.36
17	A	799	747	45.32
18	A	624	583	4.86
19	A	412	385	0.51
20	A	294	275	4.36
21	A	106	99	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	2.218	-0.182	-0.313
C2	1.122	-0.145	0.450
C3	-0.044	0.730	0.151
Cl4	-1.532	-0.234	-0.119
H5	2.301	0.417	-1.209
H6	3.058	-0.811	-0.061
H7	1.051	-0.759	1.338
H8	-0.263	1.401	0.977
H9	0.128	1.318	-0.746

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3357	2.4828	3.7558	1.0809	1.0791	2.1029	3.2135	2.6085
C2	1.3357		1.4884	2.7163	2.1110	2.1098	1.0824	2.1417	2.1350
C3	2.4828	1.4884		1.7938	2.7287	3.4701	2.1969	1.0869	1.0863
Cl4	3.7558	2.7163	1.7938		4.0380	4.6267	3.0118	2.3424	2.3586
H5	1.0809	2.1110	2.7287	4.0380		1.8435	3.0715	3.5105	2.3970
H6	1.0791	2.1098	3.4701	4.6267	1.8435		2.4473	4.1230	3.6856
H7	2.1029	1.0824	2.1969	3.0118	3.0715	2.4473		2.5538	3.0838
H8	3.2135	2.1417	1.0869	2.3424	3.5105	4.1230	2.5538		1.7693
H9	2.6085	2.1350	1.0863	2.3586	2.3970	3.6856	3.0838	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.987	C1	C2	H7	120.478
C2	C1	H5	121.393	C2	C1	H6	121.423
C2	C3	Cl4	111.362	C2	C3	H8	111.587
C2	C3	H9	111.076	C3	C2	H7	116.532
Cl4	C3	H8	106.200	Cl4	C3	H9	107.393
H5	C1	H6	117.184	H8	C3	H9	109.009

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

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