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	hartrees
Energy at 0K	-577.493241
Energy at 298.15K	-577.498113
Nuclear repulsion energy	145.762081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3107	6.85
2	A'	3193	3039	9.61
3	A'	3176	3023	2.35
4	A'	3065	2917	19.72
5	A'	1729	1646	25.19
6	A'	1489	1417	6.13
7	A'	1424	1355	7.29
8	A'	1359	1294	36.00
9	A'	1265	1204	1.19
10	A'	1104	1051	1.73
11	A'	953	907	24.02
12	A'	774	737	52.66
13	A'	571	544	1.05
14	A'	225	214	1.08
15	A"	3126	2975	11.90
16	A"	1492	1420	10.10
17	A"	1063	1012	1.31
18	A"	958	912	0.89
19	A"	717	683	61.62
20	A"	410	390	2.27
21	A"	111	105	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.914	0.000
C2	-1.238	0.425	0.000
C3	-1.655	-1.007	0.000
Cl4	1.441	-0.059	0.000
H5	0.219	1.974	0.000
H6	-2.028	1.174	0.000
H7	-0.796	-1.679	0.000
H8	-2.268	-1.228	0.879
H9	-2.268	-1.228	-0.879

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3311	2.5350	1.7391	1.0822	2.0449	2.7127	3.2413	3.2413
C2	1.3311		1.4912	2.7228	2.1262	1.0882	2.1503	2.1372	2.1372
C3	2.5350	1.4912		3.2373	3.5203	2.2119	1.0903	1.0949	1.0949
Cl4	1.7391	2.7228	3.2373		2.3724	3.6820	2.7622	3.9870	3.9870
H5	1.0822	2.1262	3.5203	2.3724		2.3854	3.7914	4.1485	4.1485
H6	2.0449	1.0882	2.2119	3.6820	2.3854		3.1073	2.5688	2.5688
H7	2.7127	2.1503	1.0903	2.7622	3.7914	3.1073		1.7727	1.7727
H8	3.2413	2.1372	1.0949	3.9870	4.1485	2.5688	1.7727		1.7589
H9	3.2413	2.1372	1.0949	3.9870	4.1485	2.5688	1.7727	1.7589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.753	C1	C2	H6	115.023
C2	C1	Cl4	124.422	C2	C1	H5	123.204
C2	C3	H7	111.874	C2	C3	H8	110.532
C2	C3	H9	110.532	C3	C2	H6	117.224
Cl4	C1	H5	112.375	H7	C3	H8	108.429
H7	C3	H9	108.429	H8	C3	H9	106.879

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.292
2	C	0.112
3	C	-0.825
4	Cl	0.081
5	H	0.201
6	H	0.171
7	H	0.188
8	H	0.182
9	H	0.182

	x	y	z	Total
	-1.767	0.408	0.000	1.813
CHELPG
AIM
ESP

	x	y	z
x	9.560	0.397	0.000
y	0.397	6.551	0.000
z	0.000	0.000	4.880

<r²>	120.349
(<r²>)^1/2	10.970

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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