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	hartrees
Energy at 0K	-576.451162
Energy at 298.15K	-576.456141
HF Energy	-575.973011
Nuclear repulsion energy	146.002797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3350	3095	9.10
2	A'	3274	3024	11.88
3	A'	3261	3012	2.26
4	A'	3153	2913	18.00
5	A'	1818	1679	15.32
6	A'	1576	1456	4.20
7	A'	1512	1397	3.21
8	A'	1437	1327	34.88
9	A'	1331	1229	0.64
10	A'	1160	1072	0.64
11	A'	990	914	18.16
12	A'	808	746	41.95
13	A'	591	546	0.86
14	A'	239	221	1.03
15	A"	3214	2968	17.84
16	A"	1576	1456	8.03
17	A"	1131	1045	0.94
18	A"	1011	934	1.33
19	A"	758	701	48.32
20	A"	421	389	2.01
21	A"	112	104	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.911	0.000
C2	-1.233	0.429	0.000
C3	-1.656	-1.005	0.000
Cl4	1.439	-0.061	0.000
H5	0.217	1.967	0.000
H6	-2.024	1.170	0.000
H7	-0.802	-1.677	0.000
H8	-2.265	-1.221	0.879
H9	-2.265	-1.221	-0.879

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3236	2.5328	1.7369	1.0779	2.0407	2.7099	3.2328	3.2328
C2	1.3236		1.4958	2.7167	2.1133	1.0842	2.1502	2.1359	2.1359
C3	2.5328	1.4958		3.2359	3.5131	2.2068	1.0865	1.0910	1.0910
Cl4	1.7369	2.7167	3.2359		2.3681	3.6759	2.7632	3.9804	3.9804
H5	1.0779	2.1133	3.5131	2.3681		2.3784	3.7840	4.1349	4.1349
H6	2.0407	1.0842	2.2068	3.6759	2.3784		3.0989	2.5590	2.5590
H7	2.7099	2.1502	1.0865	2.7632	3.7840	3.0989		1.7671	1.7671
H8	3.2328	2.1359	1.0910	3.9804	4.1349	2.5590	1.7671		1.7572
H9	3.2328	2.1359	1.0910	3.9804	4.1349	2.5590	1.7671	1.7572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.778	C1	C2	H6	115.529
C2	C1	Cl4	124.608	C2	C1	H5	122.957
C2	C3	H7	111.772	C2	C3	H8	110.338
C2	C3	H9	110.338	C3	C2	H6	116.692
Cl4	C1	H5	112.436	H7	C3	H8	108.491
H7	C3	H9	108.491	H8	C3	H9	107.277

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

using model chemistry: CID/6-31G*

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/6-31G*

States and conformations

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