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	hartrees
Energy at 0K	-577.531517
Energy at 298.15K	-577.536379
Nuclear repulsion energy	144.783018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3124	7.17
2	A'	3150	3055	11.12
3	A'	3135	3041	1.28
4	A'	3026	2935	21.33
5	A'	1710	1658	19.75
6	A'	1452	1408	3.89
7	A'	1397	1355	3.12
8	A'	1331	1291	35.52
9	A'	1242	1205	0.20
10	A'	1086	1054	0.76
11	A'	941	912	21.39
12	A'	746	724	50.98
13	A'	558	542	1.87
14	A'	222	215	1.23
15	A"	3077	2985	15.74
16	A"	1456	1413	6.77
17	A"	1051	1019	0.44
18	A"	941	913	0.77
19	A"	705	684	40.84
20	A"	405	393	1.97
21	A"	127	123	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.921	0.000
C2	-1.243	0.436	0.000
C3	-1.669	-0.999	0.000
Cl4	1.451	-0.071	0.000
H5	0.228	1.987	0.000
H6	-2.037	1.192	0.000
H7	-0.808	-1.681	0.000
H8	-2.291	-1.220	0.885
H9	-2.291	-1.220	-0.885

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3348	2.5447	1.7581	1.0904	2.0550	2.7253	3.2585	3.2585
C2	1.3348		1.4968	2.7419	2.1388	1.0967	2.1611	2.1500	2.1500
C3	2.5447	1.4968		3.2559	3.5387	2.2223	1.0983	1.1039	1.1039
Cl4	1.7581	2.7419	3.2559		2.3942	3.7101	2.7750	4.0138	4.0138
H5	1.0904	2.1388	3.5387	2.3942		2.4010	3.8125	4.1737	4.1737
H6	2.0550	1.0967	2.2223	3.7101	2.4010		3.1253	2.5822	2.5822
H7	2.7253	2.1611	1.0983	2.7750	3.8125	3.1253		1.7872	1.7872
H8	3.2585	2.1500	1.1039	4.0138	4.1737	2.5822	1.7872		1.7701
H9	3.2585	2.1500	1.1039	4.0138	4.1737	2.5822	1.7872	1.7701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.874	C1	C2	H6	115.031
C2	C1	Cl4	124.307	C2	C1	H5	123.433
C2	C3	H7	111.850	C2	C3	H8	110.613
C2	C3	H9	110.613	C3	C2	H6	117.095
Cl4	C1	H5	112.260	H7	C3	H8	108.498
H7	C3	H9	108.498	H8	C3	H9	106.593

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(Z))

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	-0.060
2	C	-0.038
3	C	0.028
4	Cl	-0.091
5	H	0.044
6	H	0.002
7	H	0.036
8	H	0.040
9	H	0.040

	x	y	z	Total
	-1.623	0.422	0.000	1.677
CHELPG
AIM
ESP

	x	y	z
x	9.106	0.299	0.000
y	0.299	6.309	0.000
z	0.000	0.000	3.707

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H5Cl (1-chloro-1-propene(Z))

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₅Cl (1-chloro-1-propene(Z))