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	hartrees
Energy at 0K	-576.558100
Energy at 298.15K	-576.563166
HF Energy	-575.983842
Nuclear repulsion energy	143.693855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3341	3138	9.00
2	A	3260	3062	5.13
3	A	3238	3041	6.41
4	A	3234	3037	0.91
5	A	3165	2972	14.41
6	A	1724	1619	1.12
7	A	1526	1434	4.88
8	A	1490	1400	7.55
9	A	1361	1279	28.02
10	A	1338	1256	15.68
11	A	1264	1187	1.29
12	A	1156	1086	1.13
13	A	1030	968	26.26
14	A	980	921	6.09
15	A	941	884	45.15
16	A	933	876	5.56
17	A	793	745	47.58
18	A	620	583	5.20
19	A	412	387	0.42
20	A	293	276	4.62
21	A	109	103	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	2.216	-0.193	-0.312
C2	1.121	-0.129	0.457
C3	-0.046	0.738	0.134
Cl4	-1.530	-0.240	-0.114
H5	2.294	0.376	-1.228
H6	3.055	-0.817	-0.042
H7	1.054	-0.715	1.365
H8	-0.267	1.428	0.945
H9	0.130	1.303	-0.777

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3392	2.4857	3.7512	1.0817	1.0797	2.1056	3.2204	2.6081
C2	1.3392		1.4887	2.7142	2.1142	2.1124	1.0832	2.1418	2.1339
C3	2.4857	1.4887		1.7949	2.7310	3.4728	2.1994	1.0872	1.0867
Cl4	3.7512	2.7142	1.7949		4.0300	4.6216	3.0155	2.3445	2.3613
H5	1.0817	2.1142	2.7310	4.0300		1.8465	3.0745	3.5193	2.3959
H6	1.0797	2.1124	3.4728	4.6216	1.8465		2.4479	4.1289	3.6857
H7	2.1056	1.0832	2.1994	3.0155	3.0745	2.4479		2.5527	3.0849
H8	3.2204	2.1418	1.0872	2.3445	3.5193	4.1289	2.5527		1.7721
H9	2.6081	2.1339	1.0867	2.3613	2.3959	3.6857	3.0849	1.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.960	C1	C2	H7	120.364
C2	C1	H5	121.326	C2	C1	H6	121.309
C2	C3	Cl4	111.159	C2	C3	H8	111.558
C2	C3	H9	110.946	C3	C2	H7	116.674
Cl4	C3	H8	106.264	Cl4	C3	H9	107.504
H5	C1	H6	117.365	H8	C3	H9	109.217

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

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

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/6-31+G**

States and conformations

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