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	hartrees
Energy at 0K	-577.289304
Energy at 298.15K	-577.283523
HF Energy	-577.514350
Nuclear repulsion energy	142.733852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3233	3120	10.32
2	A	3170	3059	5.75
3	A	3149	3039	7.96
4	A	3144	3034	0.17
5	A	3084	2976	12.99
6	A	1713	1653	1.00
7	A	1485	1433	4.62
8	A	1449	1399	5.66
9	A	1326	1280	0.80
10	A	1275	1230	38.85
11	A	1220	1178	1.56
12	A	1111	1072	0.96
13	A	1034	998	9.68
14	A	967	933	30.51
15	A	951	918	6.64
16	A	905	874	4.79
17	A	741	715	54.25
18	A	599	578	13.10
19	A	403	388	1.00
20	A	282	273	6.64
21	A	112	108	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	2.227	-0.199	-0.307
C2	1.136	-0.130	0.448
C3	-0.028	0.746	0.134
Cl4	-1.547	-0.240	-0.112
H5	2.325	0.375	-1.224
H6	3.069	-0.828	-0.037
H7	1.053	-0.719	1.358
H8	-0.269	1.427	0.952
H9	0.120	1.316	-0.783

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3293	2.4852	3.7802	1.0862	1.0845	2.1028	3.2342	2.6381
C2	1.3293		1.4901	2.7432	2.1132	2.1116	1.0872	2.1564	2.1530
C3	2.4852	1.4901		1.8278	2.7423	3.4781	2.1940	1.0914	1.0900
Cl4	3.7802	2.7432	1.8278		4.0755	4.6539	3.0254	2.3557	2.3775
H5	1.0862	2.1132	2.7423	4.0755		1.8465	3.0792	3.5454	2.4369
H6	1.0845	2.1116	3.4781	4.6539	1.8465		2.4534	4.1473	3.7205
H7	2.1028	1.0872	2.1940	3.0254	3.0792	2.4534		2.5531	3.0974
H8	3.2342	2.1564	1.0914	2.3557	3.5454	4.1473	2.5531		1.7820
H9	2.6381	2.1530	1.0900	2.3775	2.4369	3.7205	3.0974	1.7820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.645	C1	C2	H7	120.732
C2	C1	H5	121.914	C2	C1	H6	121.647
C2	C3	Cl4	111.369	C2	C3	H8	111.914
C2	C3	H9	111.739	C3	C2	H7	115.619
Cl4	C3	H8	105.322	Cl4	C3	H9	106.794
H5	C1	H6	116.438	H8	C3	H9	109.382

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

using model chemistry: G4

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	-0.302
2	C	0.047
3	C	-0.217
4	Cl	-0.187
5	H	0.117
6	H	0.126
7	H	0.110
8	H	0.157
9	H	0.150

	x	y	z	Total
	1.908	0.994	0.316	2.174
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	130.450
(<r²>)^1/2	11.421

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

using model chemistry: G4

States and conformations

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