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	hartrees
Energy at 0K	-34.044369
Energy at 298.15K	-34.049418
Nuclear repulsion energy	60.007646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3405	3076	14.57
2	A'	3322	3001	22.84
3	A'	3303	2984	6.66
4	A'	3190	2882	38.74
5	A'	1831	1654	20.60
6	A'	1617	1461	3.79
7	A'	1553	1403	0.70
8	A'	1461	1320	50.40
9	A'	1352	1222	0.16
10	A'	1183	1068	1.70
11	A'	986	891	20.16
12	A'	808	730	54.96
13	A'	597	539	2.12
14	A'	238	215	1.16
15	A"	3243	2930	38.73
16	A"	1620	1464	7.51
17	A"	1166	1053	4.73
18	A"	1059	956	2.44
19	A"	780	705	60.81
20	A"	433	391	1.64
21	A"	121	109	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.917	0.000
C2	-1.233	0.438	0.000
C3	-1.676	-1.005	0.000
Cl4	1.450	-0.068	0.000
H5	0.222	1.967	0.000
H6	-2.013	1.185	0.000
H7	-0.837	-1.688	0.000
H8	-2.288	-1.205	0.877
H9	-2.288	-1.205	-0.877

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3223	2.5499	1.7533	1.0734	2.0308	2.7361	3.2415	3.2415
C2	1.3223		1.5094	2.7302	2.1105	1.0804	2.1625	2.1408	2.1408
C3	2.5499	1.5094		3.2635	3.5263	2.2157	1.0821	1.0876	1.0876
Cl4	1.7533	2.7302	3.2635		2.3773	3.6831	2.8026	4.0043	4.0043
H5	1.0734	2.1105	3.5263	2.3773		2.3679	3.8055	4.1392	4.1392
H6	2.0308	1.0804	2.2157	3.6831	2.3679		3.1045	2.5610	2.5610
H7	2.7361	2.1625	1.0821	2.8026	3.8055	3.1045		1.7624	1.7624
H8	3.2415	2.1408	1.0876	4.0043	4.1392	2.5610	1.7624		1.7531
H9	3.2415	2.1408	1.0876	4.0043	4.1392	2.5610	1.7624	1.7531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.324	C1	C2	H6	115.012
C2	C1	Cl4	124.569	C2	C1	H5	123.178
C2	C3	H7	112.068	C2	C3	H8	109.982
C2	C3	H9	109.982	C3	C2	H6	116.664
Cl4	C1	H5	112.253	H7	C3	H8	108.638
H7	C3	H9	108.638	H8	C3	H9	107.404

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

using model chemistry: HF/CEP-121G*

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	-0.224
2	C	-0.041
3	C	-0.556
4	Cl	-0.166
5	H	0.234
6	H	0.206
7	H	0.203
8	H	0.172
9	H	0.172

	x	y	z	Total
	-1.963	0.561	0.000	2.042
CHELPG
AIM
ESP

	x	y	z
x	9.141	0.344	0.000
y	0.344	6.032	0.000
z	0.000	0.000	4.179

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/CEP-121G*

States and conformations

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