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	hartrees
Energy at 0K	-577.527221
Energy at 298.15K	-577.532205
Nuclear repulsion energy	142.115268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3234	3137	10.27
2	A	3164	3070	6.88
3	A	3143	3049	5.00
4	A	3137	3043	3.11
5	A	3078	2986	14.57
6	A	1713	1662	1.14
7	A	1461	1417	5.84
8	A	1425	1382	5.66
9	A	1312	1273	1.23
10	A	1255	1217	35.83
11	A	1212	1176	1.19
12	A	1102	1069	1.02
13	A	1021	990	10.69
14	A	955	926	28.50
15	A	951	922	8.98
16	A	897	870	4.80
17	A	734	712	54.76
18	A	594	576	13.23
19	A	402	390	1.03
20	A	283	274	6.68
21	A	111	108	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	2.236	-0.199	-0.310
C2	1.139	-0.129	0.449
C3	-0.027	0.747	0.136
Cl4	-1.554	-0.240	-0.113
H5	2.331	0.380	-1.234
H6	3.081	-0.835	-0.032
H7	1.061	-0.726	1.364
H8	-0.267	1.429	0.964
H9	0.123	1.325	-0.785

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3360	2.4937	3.7957	1.0945	1.0927	2.1125	3.2470	2.6490
C2	1.3360		1.4921	2.7533	2.1243	2.1211	1.0954	2.1616	2.1614
C3	2.4937	1.4921		1.8354	2.7520	3.4914	2.2052	1.0991	1.0978
Cl4	3.7957	2.7533	1.8354		4.0909	4.6733	3.0426	2.3673	2.3902
H5	1.0945	2.1243	2.7520	4.0909		1.8658	3.0963	3.5614	2.4438
H6	1.0927	2.1211	3.4914	4.6733	1.8658		2.4580	4.1626	3.7392
H7	2.1125	1.0954	2.2052	3.0426	3.0963	2.4580		2.5631	3.1157
H8	3.2470	2.1616	1.0991	2.3673	3.5614	4.1626	2.5631		1.7951
H9	2.6490	2.1614	1.0978	2.3902	2.4438	3.7392	3.1157	1.7951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.609	C1	C2	H7	120.319
C2	C1	H5	121.535	C2	C1	H6	121.373
C2	C3	Cl4	111.255	C2	C3	H8	112.178
C2	C3	H9	112.243	C3	C2	H7	116.068
Cl4	C3	H8	104.747	Cl4	C3	H9	106.415
H5	C1	H6	117.092	H8	C3	H9	109.589

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

using model chemistry: B3LYP/cc-pVDZ

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	0.029
2	C	-0.049
3	C	-0.014
4	Cl	-0.154
5	H	0.018
6	H	0.028
7	H	0.002
8	H	0.077
9	H	0.060

	x	y	z	Total
	1.809	0.963	0.308	2.072
CHELPG
AIM
ESP

	x	y	z
x	9.187	-0.067	-0.827
y	-0.067	4.873	-0.396
z	-0.827	-0.396	5.171

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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