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	hartrees
Energy at 0K	-34.823693
Energy at 298.15K	-34.828648
Nuclear repulsion energy	58.292661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3212	3130	27.20
2	A	3161	3081	14.63
3	A	3138	3058	2.61
4	A	3104	3025	9.59
5	A	3071	2993	22.31
6	A	1667	1625	0.82
7	A	1497	1459	7.67
8	A	1455	1418	10.04
9	A	1325	1291	1.23
10	A	1282	1249	39.00
11	A	1220	1189	2.66
12	A	1110	1081	3.13
13	A	1027	1001	15.96
14	A	983	958	61.97
15	A	950	926	14.45
16	A	905	882	4.39
17	A	714	696	62.95
18	A	558	543	26.59
19	A	396	386	1.59
20	A	272	265	9.61
21	A	108	105	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	2.251	-0.294	-0.287
C2	1.174	-0.012	0.485
C3	0.009	0.804	0.002
Cl4	-1.589	-0.269	-0.068
H5	2.318	0.041	-1.322
H6	3.091	-0.867	0.100
H7	1.121	-0.371	1.513
H8	-0.264	1.611	0.685
H9	0.140	1.179	-1.015

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3548	2.5133	3.8465	1.0901	1.0879	2.1268	3.3017	2.6748
C2	1.3548		1.5024	2.8299	2.1395	2.1342	1.0901	2.1777	2.1761
C3	2.5133	1.5024		1.9266	2.7692	3.5075	2.2136	1.0920	1.0914
Cl4	3.8465	2.8299	1.9266		4.1155	4.7213	3.1392	2.4207	2.4462
H5	1.0901	2.1395	2.7692	4.1155		1.8556	3.1049	3.6280	2.4764
H6	1.0879	2.1342	3.5075	4.7213	1.8556		2.4750	4.2121	3.7596
H7	2.1268	1.0901	2.2136	3.1392	3.1049	2.4750		2.5555	3.1227
H8	3.3017	2.1777	1.0920	2.4207	3.6280	4.2121	2.5555		1.8001
H9	2.6748	2.1761	1.0914	2.4462	2.4764	3.7596	3.1227	1.8001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.125	C1	C2	H7	120.508
C2	C1	H5	121.738	C2	C1	H6	121.399
C2	C3	Cl4	110.631	C2	C3	H8	113.210
C2	C3	H9	113.118	C3	C2	H7	116.366
Cl4	C3	H8	103.127	Cl4	C3	H9	104.898
H5	C1	H6	116.863	H8	C3	H9	111.067

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

using model chemistry: B3LYP/CEP-121G

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	-0.381
2	C	0.191
3	C	-0.604
4	Cl	-0.061
5	H	0.146
6	H	0.137
7	H	0.157
8	H	0.208
9	H	0.206

	x	y	z	Total
	2.438	1.265	0.120	2.750
CHELPG
AIM
ESP

	x	y	z
x	10.039	-0.035	-0.886
y	-0.035	4.999	-0.078
z	-0.886	-0.078	5.386

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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