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	hartrees
Energy at 0K	-576.447675
Energy at 298.15K	-576.452803
HF Energy	-575.971517
Nuclear repulsion energy	143.743438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3354	3098	12.24
2	A	3290	3039	5.84
3	A	3271	3021	7.49
4	A	3264	3015	2.49
5	A	3208	2963	16.78
6	A	1817	1678	0.83
7	A	1576	1456	4.36
8	A	1530	1414	8.80
9	A	1400	1293	18.48
10	A	1376	1271	24.93
11	A	1301	1202	0.58
12	A	1187	1097	1.23
13	A	1074	992	16.48
14	A	1013	936	43.05
15	A	1002	926	6.00
16	A	960	886	6.08
17	A	815	752	54.83
18	A	639	590	6.35
19	A	423	391	0.70
20	A	302	279	4.54
21	A	108	99	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	2.221	-0.169	-0.311
C2	1.126	-0.164	0.435
C3	-0.044	0.725	0.169
Cl4	-1.536	-0.229	-0.124
H5	2.323	0.465	-1.182
H6	3.060	-0.809	-0.078
H7	1.043	-0.815	1.297
H8	-0.259	1.367	1.018
H9	0.121	1.342	-0.710

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3256	2.4817	3.7623	1.0823	1.0806	2.0955	3.2060	2.6182
C2	1.3256		1.4925	2.7203	2.1082	2.1031	1.0831	2.1449	2.1418
C3	2.4817	1.4925		1.7951	2.7372	3.4710	2.1962	1.0868	1.0857
Cl4	3.7623	2.7203	1.7951		4.0610	4.6327	3.0014	2.3416	2.3571
H5	1.0823	2.1082	2.7372	4.0610		1.8399	3.0696	3.5104	2.4172
H6	1.0806	2.1031	3.4710	4.6327	1.8399		2.4417	4.1178	3.6969
H7	2.0955	1.0831	2.1962	3.0014	3.0696	2.4417		2.5560	3.0866
H8	3.2060	2.1449	1.0868	2.3416	3.5104	4.1178	2.5560		1.7692
H9	2.6182	2.1418	1.0857	2.3571	2.4172	3.6969	3.0866	1.7692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.324	C1	C2	H7	120.572
C2	C1	H5	121.893	C2	C1	H6	121.534
C2	C3	Cl4	111.338	C2	C3	H8	111.557
C2	C3	H9	111.371	C3	C2	H7	116.100
Cl4	C3	H8	106.065	Cl4	C3	H9	107.229
H5	C1	H6	116.574	H8	C3	H9	109.043

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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