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	hartrees
Energy at 0K	-575.704276
Energy at 298.15K	-575.709107
Nuclear repulsion energy	146.439907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3118	4.22
2	A'	3094	3060	4.48
3	A'	3077	3043	0.98
4	A'	2968	2935	12.09
5	A'	1693	1674	22.17
6	A'	1375	1360	5.77
7	A'	1328	1313	12.86
8	A'	1264	1250	26.88
9	A'	1183	1170	0.87
10	A'	1059	1047	2.91
11	A'	931	921	22.14
12	A'	771	763	51.76
13	A'	558	552	0.79
14	A'	225	222	1.28
15	A"	3038	3005	4.46
16	A"	1379	1364	9.73
17	A"	993	982	0.05
18	A"	895	885	0.69
19	A"	675	668	48.09
20	A"	400	396	2.99
21	A"	141	139	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.924	0.000
C2	-1.241	0.429	0.000
C3	-1.613	-1.000	0.000
Cl4	1.418	-0.067	0.000
H5	0.227	2.000	0.000
H6	-2.050	1.181	0.000
H7	-0.712	-1.646	0.000
H8	-2.229	-1.255	0.889
H9	-2.229	-1.255	-0.889

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3359	2.5105	1.7301	1.1002	2.0665	2.6670	3.2416	3.2416
C2	1.3359		1.4764	2.7049	2.1504	1.1051	2.1413	2.1453	2.1453
C3	2.5105	1.4764		3.1715	3.5195	2.2245	1.1083	1.1116	1.1116
Cl4	1.7301	2.7049	3.1715		2.3860	3.6864	2.6522	3.9381	3.9381
H5	1.1002	2.1504	3.5195	2.3860		2.4203	3.7657	4.1739	4.1739
H6	2.0665	1.1051	2.2245	3.6864	2.4203		3.1279	2.5991	2.5991
H7	2.6670	2.1413	1.1083	2.6522	3.7657	3.1279		1.8015	1.8015
H8	3.2416	2.1453	1.1116	3.9381	4.1739	2.5991	1.8015		1.7779
H9	3.2416	2.1453	1.1116	3.9381	4.1739	2.5991	1.8015	1.7779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.345	C1	C2	H6	115.355
C2	C1	Cl4	123.312	C2	C1	H5	123.659
C2	C3	H7	111.075	C2	C3	H8	111.200
C2	C3	H9	111.200	C3	C2	H6	118.301
Cl4	C1	H5	113.028	H7	C3	H8	108.490
H7	C3	H9	108.490	H8	C3	H9	106.209

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

using model chemistry: LSDA/cc-pVDZ

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	-0.135
2	C	-0.072
3	C	-0.124
4	Cl	-0.053
5	H	0.086
6	H	0.045
7	H	0.073
8	H	0.090
9	H	0.090

	x	y	z	Total
	-1.481	0.344	0.000	1.521
CHELPG
AIM
ESP

	x	y	z
x	9.174	0.364	0.000
y	0.364	6.573	0.000
z	0.000	0.000	3.764

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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