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	hartrees
Energy at 0K	-575.991436
Energy at 298.15K	-575.996656
Nuclear repulsion energy	143.821963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3380	3061	14.53
2	A	3326	3012	6.41
3	A	3308	2995	4.84
4	A	3294	2982	5.90
5	A	3243	2937	19.38
6	A	1862	1686	1.15
7	A	1611	1459	4.56
8	A	1567	1419	8.36
9	A	1431	1296	6.36
10	A	1399	1267	51.36
11	A	1325	1200	0.51
12	A	1201	1087	1.40
13	A	1134	1027	7.38
14	A	1089	986	43.91
15	A	1013	918	5.72
16	A	980	888	6.13
17	A	814	737	70.26
18	A	650	589	14.37
19	A	433	392	1.17
20	A	308	279	5.76
21	A	117	106	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	2.221	-0.169	-0.308
C2	1.131	-0.167	0.427
C3	-0.038	0.727	0.169
Cl4	-1.539	-0.229	-0.122
H5	2.329	0.470	-1.168
H6	3.052	-0.811	-0.077
H7	1.043	-0.822	1.278
H8	-0.258	1.355	1.021
H9	0.111	1.343	-0.704

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3145	2.4766	3.7649	1.0767	1.0752	2.0801	3.1987	2.6254
C2	1.3145		1.4944	2.7266	2.0938	2.0876	1.0770	2.1445	2.1446
C3	2.4766	1.4944		1.8033	2.7305	3.4603	2.1903	1.0803	1.0787
Cl4	3.7649	2.7266	1.8033		4.0667	4.6278	2.9968	2.3357	2.3522
H5	1.0767	2.0938	2.7305	4.0667		1.8312	3.0498	3.5021	2.4279
H6	1.0752	2.0876	3.4603	4.6278	1.8312		2.4227	4.1050	3.6985
H7	2.0801	1.0770	2.1903	2.9968	3.0498	2.4227		2.5492	3.0792
H8	3.1987	2.1445	1.0803	2.3357	3.5021	4.1050	2.5492		1.7632
H9	2.6254	2.1446	1.0787	2.3522	2.4279	3.6985	3.0792	1.7632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.572	C1	C2	H7	120.551
C2	C1	H5	121.926	C2	C1	H6	121.434
C2	C3	Cl4	111.206	C2	C3	H8	111.793
C2	C3	H9	111.899	C3	C2	H7	115.872
Cl4	C3	H8	105.428	Cl4	C3	H9	106.689
H5	C1	H6	116.639	H8	C3	H9	109.506

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

using model chemistry: HF/6-31G(2df,p)

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	-0.347
2	C	-0.055
3	C	-0.235
4	Cl	-0.192
5	H	0.151
6	H	0.159
7	H	0.157
8	H	0.182
9	H	0.180

	x	y	z	Total
	2.017	1.053	0.374	2.306
CHELPG
AIM
ESP

	x	y	z
x	8.926	0.067	-0.883
y	0.067	5.045	-0.313
z	-0.883	-0.313	5.292

<r²>	129.367
(<r²>)^1/2	11.374

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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