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	hartrees
Energy at 0K	-576.561463
Energy at 298.15K	-576.566315
HF Energy	-575.984045
Nuclear repulsion energy	145.979000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3309	3108	8.33
2	A'	3251	3053	9.89
3	A'	3239	3042	1.91
4	A'	3122	2932	19.06
5	A'	1715	1611	24.53
6	A'	1534	1440	4.30
7	A'	1462	1373	3.98
8	A'	1395	1310	35.62
9	A'	1289	1211	1.86
10	A'	1127	1058	1.66
11	A'	968	909	20.22
12	A'	794	746	38.88
13	A'	576	541	0.61
14	A'	231	217	0.88
15	A"	3200	3005	12.37
16	A"	1531	1438	7.73
17	A"	1085	1019	2.96
18	A"	946	888	0.50
19	A"	720	676	57.36
20	A"	393	369	2.12
21	A"	90	84	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.915	0.000
C2	-1.244	0.423	0.000
C3	-1.643	-1.016	0.000
Cl4	1.436	-0.054	0.000
H5	0.207	1.974	0.000
H6	-2.035	1.163	0.000
H7	-0.774	-1.668	0.000
H8	-2.247	-1.245	0.878
H9	-2.247	-1.245	-0.878

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3380	2.5357	1.7325	1.0787	2.0506	2.6964	3.2378	3.2378
C2	1.3380		1.4933	2.7224	2.1237	1.0839	2.1427	2.1347	2.1347
C3	2.5357	1.4933		3.2262	3.5159	2.2148	1.0859	1.0898	1.0898
Cl4	1.7325	2.7224	3.2262		2.3712	3.6789	2.7370	3.9691	3.9691
H5	1.0787	2.1237	3.5159	2.3712		2.3841	3.7713	4.1411	4.1411
H6	2.0506	1.0839	2.2148	3.6789	2.3841		3.0994	2.5720	2.5720
H7	2.6964	2.1427	1.0859	2.7370	3.7713	3.0994		1.7659	1.7659
H8	3.2378	2.1347	1.0898	3.9691	4.1411	2.5720	1.7659		1.7562
H9	3.2378	2.1347	1.0898	3.9691	4.1411	2.5720	1.7659	1.7562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.080	C1	C2	H6	115.308
C2	C1	Cl4	124.412	C2	C1	H5	122.635
C2	C3	H7	111.373	C2	C3	H8	110.484
C2	C3	H9	110.484	C3	C2	H6	117.612
Cl4	C1	H5	112.953	H7	C3	H8	108.509
H7	C3	H9	108.509	H8	C3	H9	107.361

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

using model chemistry: MP2=FULL/6-31+G**

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: MP2=FULL/6-31+G**

States and conformations

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