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	hartrees
Energy at 0K	-575.980203
Energy at 298.15K	-575.985419
Nuclear repulsion energy	143.677208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3399	3068	16.99
2	A	3343	3018	7.95
3	A	3325	3001	6.00
4	A	3311	2988	7.09
5	A	3260	2943	22.81
6	A	1876	1694	0.93
7	A	1621	1463	4.70
8	A	1576	1423	8.82
9	A	1441	1301	12.74
10	A	1413	1276	48.52
11	A	1338	1207	0.54
12	A	1214	1096	1.53
13	A	1134	1024	8.61
14	A	1092	985	52.55
15	A	1020	920	6.89
16	A	987	891	6.18
17	A	817	738	77.83
18	A	651	587	14.47
19	A	435	393	1.26
20	A	310	280	5.71
21	A	112	101	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	2.224	-0.169	-0.309
C2	1.133	-0.165	0.429
C3	-0.038	0.726	0.168
Cl4	-1.541	-0.229	-0.122
H5	2.328	0.463	-1.175
H6	3.056	-0.808	-0.074
H7	1.051	-0.815	1.284
H8	-0.257	1.357	1.018
H9	0.112	1.341	-0.705

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3171	2.4792	3.7701	1.0769	1.0753	2.0814	3.2003	2.6265
C2	1.3171		1.4951	2.7316	2.0967	2.0889	1.0773	2.1434	2.1449
C3	2.4792	1.4951		1.8043	2.7337	3.4622	2.1930	1.0802	1.0789
Cl4	3.7701	2.7316	1.8043		4.0693	4.6338	3.0072	2.3373	2.3534
H5	1.0769	2.0967	2.7337	4.0693		1.8322	3.0517	3.5055	2.4299
H6	1.0753	2.0889	3.4622	4.6338	1.8322		2.4216	4.1051	3.6996
H7	2.0814	1.0773	2.1930	3.0072	3.0517	2.4216		2.5493	3.0811
H8	3.2003	2.1434	1.0802	2.3373	3.5055	4.1051	2.5493		1.7622
H9	2.6265	2.1449	1.0789	2.3534	2.4299	3.6996	3.0811	1.7622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.542	C1	C2	H7	120.423
C2	C1	H5	121.962	C2	C1	H6	121.324
C2	C3	Cl4	111.421	C2	C3	H8	111.653
C2	C3	H9	111.864	C3	C2	H7	116.029
Cl4	C3	H8	105.484	Cl4	C3	H9	106.702
H5	C1	H6	116.714	H8	C3	H9	109.405

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.271
2	C	-0.083
3	C	-0.316
4	Cl	-0.111
5	H	0.132
6	H	0.141
7	H	0.154
8	H	0.178
9	H	0.174

	x	y	z	Total
	2.120	1.103	0.378	2.420
CHELPG
AIM
ESP

	x	y	z
x	8.526	0.132	-0.975
y	0.132	4.501	-0.390
z	-0.975	-0.390	4.802

<r²>	129.769
(<r²>)^1/2	11.392

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

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

States and conformations

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