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	hartrees
Energy at 0K	-573.496820
Energy at 298.15K	-573.501635
HF Energy	-573.136565
Nuclear repulsion energy	141.981188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	3144	3.73
2	A'	3133	3037	8.65
3	A'	3119	3023	1.49
4	A'	3031	2938	13.88
5	A'	1693	1641	12.21
6	A'	1565	1517	3.55
7	A'	1478	1433	6.39
8	A'	1383	1340	43.16
9	A'	1274	1234	2.71
10	A'	1119	1084	1.43
11	A'	917	889	11.90
12	A'	693	672	33.12
13	A'	521	505	6.49
14	A'	234	227	1.39
15	A"	3081	2986	16.11
16	A"	1572	1524	9.00
17	A"	1122	1088	0.13
18	A"	965	936	1.00
19	A"	724	702	59.71
20	A"	389	377	2.03
21	A"	110	107	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.973	0.000
C2	-1.256	0.525	0.000
C3	-1.716	-0.925	0.000
Cl4	1.475	-0.169	0.000
H5	0.311	2.010	0.000
H6	-2.042	1.285	0.000
H7	-0.854	-1.601	0.000
H8	-2.329	-1.128	0.891
H9	-2.329	-1.128	-0.891

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3336	2.5586	1.8657	1.0829	2.0659	2.7121	3.2606	3.2606
C2	1.3336		1.5213	2.8184	2.1589	1.0930	2.1644	2.1628	2.1628
C3	2.5586	1.5213		3.2796	3.5670	2.2336	1.0960	1.1001	1.1001
Cl4	1.8657	2.8184	3.2796		2.4710	3.8062	2.7340	4.0231	4.0231
H5	1.0829	2.1589	3.5670	2.4710		2.4624	3.7947	4.1966	4.1966
H6	2.0659	1.0930	2.2336	3.8062	2.4624		3.1213	2.5879	2.5879
H7	2.7121	2.1644	1.0960	2.7340	3.7947	3.1213		1.7872	1.7872
H8	3.2606	2.1628	1.1001	4.0231	4.1966	2.5879	1.7872		1.7811
H9	3.2606	2.1628	1.1001	4.0231	4.1966	2.5879	1.7872	1.7811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.207	C1	C2	H6	116.373
C2	C1	Cl4	122.642	C2	C1	H5	126.292
C2	C3	H7	110.514	C2	C3	H8	110.150
C2	C3	H9	110.150	C3	C2	H6	116.420
Cl4	C1	H5	111.067	H7	C3	H8	108.935
H7	C3	H9	108.935	H8	C3	H9	108.103

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

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

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