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	hartrees
Energy at 0K	-573.633944
Energy at 298.15K	-573.638911
Nuclear repulsion energy	145.280224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3309	3079	6.69
2	A'	3229	3005	7.52
3	A'	3210	2987	3.00
4	A'	3118	2902	13.32
5	A'	1767	1644	12.80
6	A'	1604	1492	4.50
7	A'	1521	1415	7.03
8	A'	1452	1351	30.01
9	A'	1343	1249	0.19
10	A'	1163	1082	0.45
11	A'	952	886	18.27
12	A'	765	712	38.38
13	A'	584	544	2.82
14	A'	245	228	1.03
15	A"	3167	2947	15.60
16	A"	1608	1496	9.55
17	A"	1157	1076	0.19
18	A"	1030	958	1.22
19	A"	765	712	59.88
20	A"	420	390	2.64
21	A"	104	96	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.927	0.000
C2	-1.238	0.452	0.000
C3	-1.658	-1.001	0.000
Cl4	1.441	-0.078	0.000
H5	0.233	1.979	0.000
H6	-2.039	1.184	0.000
H7	-0.789	-1.658	0.000
H8	-2.263	-1.219	0.884
H9	-2.263	-1.219	-0.884

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3256	2.5429	1.7568	1.0780	2.0548	2.7029	3.2419	3.2419
C2	1.3256		1.5128	2.7303	2.1203	1.0851	2.1574	2.1509	2.1509
C3	2.5429	1.5128		3.2330	3.5298	2.2181	1.0894	1.0935	1.0935
Cl4	1.7568	2.7303	3.2330		2.3861	3.7013	2.7325	3.9751	3.9751
H5	1.0780	2.1203	3.5298	2.3861		2.4069	3.7785	4.1526	4.1526
H6	2.0548	1.0851	2.2181	3.7013	2.4069		3.1049	2.5705	2.5705
H7	2.7029	2.1574	1.0894	2.7325	3.7785	3.1049		1.7742	1.7742
H8	3.2419	2.1509	1.0935	3.9751	4.1526	2.5705	1.7742		1.7683
H9	3.2419	2.1509	1.0935	3.9751	4.1526	2.5705	1.7742	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.123	C1	C2	H6	116.583
C2	C1	Cl4	124.094	C2	C1	H5	123.475
C2	C3	H7	110.966	C2	C3	H8	110.200
C2	C3	H9	110.200	C3	C2	H6	116.293
Cl4	C1	H5	112.431	H7	C3	H8	108.742
H7	C3	H9	108.742	H8	C3	H9	107.915

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

using model chemistry: CID/3-21G*

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

using model chemistry: CID/3-21G*

States and conformations

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