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	hartrees
Energy at 0K	-577.534781
Energy at 298.15K	-577.539809
Nuclear repulsion energy	143.458986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3251	3110	10.05
2	A	3186	3048	6.55
3	A	3167	3030	3.42
4	A	3159	3022	4.90
5	A	3105	2970	16.01
6	A	1730	1655	1.48
7	A	1484	1420	7.44
8	A	1449	1386	9.36
9	A	1330	1272	4.41
10	A	1296	1240	32.94
11	A	1235	1182	1.19
12	A	1129	1080	2.22
13	A	1036	991	14.33
14	A	972	930	46.28
15	A	962	920	6.90
16	A	911	871	7.91
17	A	762	729	63.33
18	A	612	585	9.63
19	A	405	388	0.87
20	A	284	272	6.01
21	A	107	102	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	2.220	-0.182	-0.310
C2	1.128	-0.147	0.441
C3	-0.035	0.732	0.153
Cl4	-1.539	-0.233	-0.119
H5	2.315	0.423	-1.206
H6	3.061	-0.817	-0.057
H7	1.048	-0.770	1.327
H8	-0.263	1.389	0.993
H9	0.121	1.328	-0.743

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3264	2.4772	3.7647	1.0851	1.0833	2.0980	3.2143	2.6219
C2	1.3264		1.4860	2.7266	2.1089	2.1051	1.0860	2.1441	2.1432
C3	2.4772	1.4860		1.8084	2.7321	3.4677	2.1925	1.0895	1.0880
Cl4	3.7647	2.7266	1.8084		4.0580	4.6371	3.0120	2.3442	2.3634
H5	1.0851	2.1089	2.7321	4.0580		1.8480	3.0734	3.5229	2.4176
H6	1.0833	2.1051	3.4677	4.6371	1.8480		2.4428	4.1244	3.7031
H7	2.0980	1.0860	2.1925	3.0120	3.0734	2.4428		2.5478	3.0902
H8	3.2143	2.1441	1.0895	2.3442	3.5229	4.1244	2.5478		1.7791
H9	2.6219	2.1432	1.0880	2.3634	2.4176	3.7031	3.0902	1.7791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.382	C1	C2	H7	120.515
C2	C1	H5	121.652	C2	C1	H6	121.431
C2	C3	Cl4	111.343	C2	C3	H8	111.798
C2	C3	H9	111.816	C3	C2	H7	116.099
Cl4	C3	H8	105.273	Cl4	C3	H9	106.709
H5	C1	H6	116.917	H8	C3	H9	109.580

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

using model chemistry: mPW1PW91/6-311G**

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	-0.206
2	C	-0.132
3	C	-0.324
4	Cl	-0.106
5	H	0.123
6	H	0.133
7	H	0.136
8	H	0.194
9	H	0.182

	x	y	z	Total
	1.954	1.008	0.327	2.223
CHELPG
AIM
ESP

	x	y	z
x	9.343	0.145	-0.762
y	0.145	5.006	-0.279
z	-0.762	-0.279	5.141

<r²>	129.686
(<r²>)^1/2	11.388

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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