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	hartrees
Energy at 0K	-573.691798
Energy at 298.15K	-573.696673
HF Energy	-573.245129
Nuclear repulsion energy	144.490625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3082	6.82
2	A'	3146	3009	9.29
3	A'	3128	2992	3.09
4	A'	3040	2908	13.61
5	A'	1699	1625	14.84
6	A'	1571	1502	2.95
7	A'	1483	1419	6.88
8	A'	1418	1357	27.79
9	A'	1308	1251	0.37
10	A'	1133	1084	0.55
11	A'	927	887	16.69
12	A'	747	714	31.11
13	A'	568	543	2.24
14	A'	239	229	1.05
15	A"	3090	2955	16.69
16	A"	1575	1507	8.22
17	A"	1123	1074	0.18
18	A"	976	933	0.74
19	A"	732	701	53.87
20	A"	400	383	2.67
21	A"	100	96	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.934	0.000
C2	-1.247	0.452	0.000
C3	-1.662	-1.010	0.000
Cl4	1.447	-0.077	0.000
H5	0.233	1.993	0.000
H6	-2.056	1.186	0.000
H7	-0.782	-1.664	0.000
H8	-2.269	-1.234	0.890
H9	-2.269	-1.234	-0.890

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3369	2.5581	1.7649	1.0847	2.0711	2.7133	3.2619	3.2619
C2	1.3369		1.5207	2.7456	2.1369	1.0918	2.1669	2.1635	2.1635
C3	2.5581	1.5207		3.2463	3.5519	2.2316	1.0961	1.0998	1.0998
Cl4	1.7649	2.7456	3.2463		2.3995	3.7233	2.7367	3.9922	3.9922
H5	1.0847	2.1369	3.5519	2.3995		2.4272	3.7958	4.1797	4.1797
H6	2.0711	1.0918	2.2316	3.7233	2.4272		3.1218	2.5877	2.5877
H7	2.7133	2.1669	1.0961	2.7367	3.7958	3.1218		1.7847	1.7847
H8	3.2619	2.1635	1.0998	3.9922	4.1797	2.5877	1.7847		1.7795
H9	3.2619	2.1635	1.0998	3.9922	4.1797	2.5877	1.7847	1.7795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.950	C1	C2	H6	116.664
C2	C1	Cl4	123.955	C2	C1	H5	123.535
C2	C3	H7	110.767	C2	C3	H8	110.267
C2	C3	H9	110.267	C3	C2	H6	116.386
Cl4	C1	H5	112.510	H7	C3	H8	108.737
H7	C3	H9	108.737	H8	C3	H9	107.998

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

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

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