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	hartrees
Energy at 0K	-576.226287
Energy at 298.15K	-576.231118
HF Energy	-575.904296
Nuclear repulsion energy	142.128446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3283	3119	6.58
2	A'	3178	3019	15.02
3	A'	3164	3006	2.33
4	A'	3062	2910	19.05
5	A'	1700	1615	16.39
6	A'	1564	1486	3.87
7	A'	1493	1418	4.83
8	A'	1396	1327	45.60
9	A'	1299	1234	0.52
10	A'	1132	1076	0.15
11	A'	963	915	15.36
12	A'	719	684	36.13
13	A'	546	519	4.23
14	A'	227	215	1.35
15	A"	3131	2974	20.60
16	A"	1561	1483	9.51
17	A"	1126	1070	0.63
18	A"	968	920	1.38
19	A"	734	698	60.88
20	A"	402	382	2.05
21	A"	95	90	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.949	0.000
C2	-1.263	0.489	0.000
C3	-1.726	-0.949	0.000
Cl4	1.486	-0.132	0.000
H5	0.280	1.996	0.000
H6	-2.042	1.257	0.000
H7	-0.875	-1.639	0.000
H8	-2.342	-1.158	0.887
H9	-2.342	-1.158	-0.887

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3444	2.5660	1.8373	1.0840	2.0652	2.7320	3.2727	3.2727
C2	1.3444		1.5112	2.8183	2.1573	1.0933	2.1635	2.1595	2.1595
C3	2.5660	1.5112		3.3146	3.5641	2.2281	1.0961	1.0996	1.0996
Cl4	1.8373	2.8183	3.3146		2.4456	3.7913	2.8006	4.0607	4.0607
H5	1.0840	2.1573	3.5641	2.4456		2.4377	3.8144	4.1966	4.1966
H6	2.0652	1.0933	2.2281	3.7913	2.4377		3.1220	2.5896	2.5896
H7	2.7320	2.1635	1.0961	2.8006	3.8144	3.1220		1.7806	1.7806
H8	3.2727	2.1595	1.0996	4.0607	4.1966	2.5896	1.7806		1.7743
H9	3.2727	2.1595	1.0996	4.0607	4.1966	2.5896	1.7806	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.851	C1	C2	H6	115.436
C2	C1	Cl4	123.960	C2	C1	H5	125.001
C2	C3	H7	111.156	C2	C3	H8	110.625
C2	C3	H9	110.625	C3	C2	H6	116.712
Cl4	C1	H5	111.039	H7	C3	H8	108.374
H7	C3	H9	108.374	H8	C3	H9	107.571

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

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

States and conformations

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