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	hartrees
Energy at 0K	-569.848961
Energy at 298.15K	-569.853691
HF Energy	-569.661580
Nuclear repulsion energy	142.813678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3567	3170	0.05
2	A'	3527	3135	2.59
3	A'	3497	3108	14.52
4	A'	3373	2998	1.28
5	A'	1808	1607	13.64
6	A'	1713	1523	0.24
7	A'	1608	1429	0.24
8	A'	1481	1316	47.72
9	A'	1336	1187	0.29
10	A'	1190	1058	1.34
11	A'	1030	915	8.10
12	A'	847	753	19.09
13	A'	594	528	0.19
14	A'	224	199	1.75
15	A"	3537	3144	0.71
16	A"	1714	1524	3.29
17	A"	1186	1054	0.03
18	A"	1024	910	0.47
19	A"	747	664	12.42
20	A"	409	364	2.71
21	A"	120	106	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.950	0.000
C2	-1.264	0.472	0.000
C3	-1.679	-1.005	0.000
Cl4	1.462	-0.096	0.000
H5	0.239	2.026	0.000
H6	-2.073	1.222	0.000
H7	-0.792	-1.660	0.000
H8	-2.289	-1.232	0.893
H9	-2.289	-1.232	-0.893

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3511	2.5773	1.7981	1.1020	2.0903	2.7275	3.2866	3.2866
C2	1.3511		1.5343	2.7847	2.1618	1.1027	2.1832	2.1804	2.1804
C3	2.5773	1.5343		3.2706	3.5870	2.2609	1.1024	1.1050	1.1050
Cl4	1.7981	2.7847	3.2706		2.4493	3.7725	2.7440	4.0205	4.0205
H5	1.1020	2.1618	3.5870	2.4493		2.4477	3.8273	4.2198	4.2198
H6	2.0903	1.1027	2.2609	3.7725	2.4477		3.1528	2.6202	2.6202
H7	2.7275	2.1832	1.1024	2.7440	3.8273	3.1528		1.7946	1.7946
H8	3.2866	2.1804	1.1050	4.0205	4.2198	2.6202	1.7946		1.7858
H9	3.2866	2.1804	1.1050	4.0205	4.2198	2.6202	1.7946	1.7858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.442	C1	C2	H6	116.459
C2	C1	Cl4	123.696	C2	C1	H5	123.260
C2	C3	H7	110.722	C2	C3	H8	110.340
C2	C3	H9	110.340	C3	C2	H6	117.099
Cl4	C1	H5	113.044	H7	C3	H8	108.778
H7	C3	H9	108.778	H8	C3	H9	107.808

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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