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	hartrees
Energy at 0K	-576.607494
Energy at 298.15K	-576.612329
HF Energy	-576.017891
Nuclear repulsion energy	145.162473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3091	11.24
2	A'	3160	3025	13.80
3	A'	3146	3012	3.04
4	A'	3043	2914	20.18
5	A'	1722	1648	15.64
6	A'	1518	1453	5.93
7	A'	1455	1393	3.83
8	A'	1382	1323	33.47
9	A'	1278	1223	0.90
10	A'	1117	1069	1.26
11	A'	955	915	18.62
12	A'	777	744	41.25
13	A'	569	545	0.75
14	A'	232	222	0.62
15	A"	3100	2968	19.60
16	A"	1519	1454	9.83
17	A"	1081	1035	1.37
18	A"	935	895	0.64
19	A"	710	680	58.45
20	A"	393	376	1.54
21	A"	92	88	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.919	0.000
C2	-1.243	0.428	0.000
C3	-1.660	-1.015	0.000
Cl4	1.446	-0.058	0.000
H5	0.217	1.981	0.000
H6	-2.041	1.173	0.000
H7	-0.800	-1.689	0.000
H8	-2.273	-1.235	0.883
H9	-2.273	-1.235	-0.883

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3361	2.5489	1.7452	1.0846	2.0570	2.7272	3.2535	3.2535
C2	1.3361		1.5029	2.7329	2.1316	1.0914	2.1629	2.1468	2.1468
C3	2.5489	1.5029		3.2510	3.5363	2.2208	1.0926	1.0971	1.0971
Cl4	1.7452	2.7329	3.2510		2.3809	3.6984	2.7758	3.9999	3.9999
H5	1.0846	2.1316	3.5363	2.3809		2.3990	3.8082	4.1626	4.1626
H6	2.0570	1.0914	2.2208	3.6984	2.3990		3.1189	2.5752	2.5752
H7	2.7272	2.1629	1.0926	2.7758	3.8082	3.1189		1.7764	1.7764
H8	3.2535	2.1468	1.0971	3.9999	4.1626	2.5752	1.7764		1.7667
H9	3.2535	2.1468	1.0971	3.9999	4.1626	2.5752	1.7764	1.7667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.654	C1	C2	H6	115.485
C2	C1	Cl4	124.451	C2	C1	H5	123.084
C2	C3	H7	111.912	C2	C3	H8	110.341
C2	C3	H9	110.341	C3	C2	H6	116.861
Cl4	C1	H5	112.466	H7	C3	H8	108.428
H7	C3	H9	108.428	H8	C3	H9	107.246

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

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

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