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	hartrees
Energy at 0K	-577.428909
Energy at 298.15K	-577.433670
Nuclear repulsion energy	144.164157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3129	8.17
2	A'	3069	3052	13.85
3	A'	3054	3037	1.43
4	A'	2953	2937	21.47
5	A'	1640	1631	18.23
6	A'	1445	1437	2.22
7	A'	1373	1366	1.63
8	A'	1306	1299	38.76
9	A'	1221	1214	0.40
10	A'	1059	1053	0.38
11	A'	912	907	20.77
12	A'	714	710	48.32
13	A'	541	538	2.67
14	A'	215	214	1.21
15	A"	2993	2976	17.57
16	A"	1448	1440	4.60
17	A"	1031	1026	0.54
18	A"	907	902	0.36
19	A"	688	684	33.68
20	A"	392	390	1.76
21	A"	121	121	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.924	0.000
C2	-1.247	0.438	0.000
C3	-1.684	-1.001	0.000
Cl4	1.461	-0.072	0.000
H5	0.240	1.986	0.000
H6	-2.041	1.194	0.000
H7	-0.828	-1.688	0.000
H8	-2.307	-1.220	0.884
H9	-2.307	-1.220	-0.884

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3386	2.5578	1.7679	1.0882	2.0585	2.7402	3.2714	3.2714
C2	1.3386		1.5039	2.7554	2.1465	1.0960	2.1670	2.1574	2.1574
C3	2.5578	1.5039		3.2791	3.5528	2.2237	1.0979	1.1038	1.1038
Cl4	1.7679	2.7554	3.2791		2.3920	3.7232	2.8015	4.0369	4.0369
H5	1.0882	2.1465	3.5528	2.3920		2.4145	3.8256	4.1889	4.1889
H6	2.0585	1.0960	2.2237	3.7232	2.4145		3.1268	2.5845	2.5845
H7	2.7402	2.1670	1.0979	2.8015	3.8256	3.1268		1.7862	1.7862
H8	3.2714	2.1574	1.1038	4.0369	4.1889	2.5845	1.7862		1.7690
H9	3.2714	2.1574	1.1038	4.0369	4.1889	2.5845	1.7862	1.7690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.185	C1	C2	H6	115.096
C2	C1	Cl4	124.414	C2	C1	H5	124.058
C2	C3	H7	111.847	C2	C3	H8	110.715
C2	C3	H9	110.715	C3	C2	H6	116.719
Cl4	C1	H5	111.528	H7	C3	H8	108.436
H7	C3	H9	108.436	H8	C3	H9	106.505

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

using model chemistry: BLYP/6-31G(2df,p)

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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Number	Element	Mulliken
1	C	-0.050
2	C	0.024
3	C	-0.392
4	Cl	-0.160
5	H	0.118
6	H	0.087
7	H	0.134
8	H	0.119
9	H	0.119

	x	y	z	Total
	-1.683	0.449	0.000	1.742
CHELPG
AIM
ESP

	x	y	z
x	9.512	0.341	0.000
y	0.341	6.559	0.000
z	0.000	0.000	4.268

<r²>	122.524
(<r²>)^1/2	11.069

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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