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	hartrees
Energy at 0K	-577.432060
Energy at 298.15K	-577.436776
Nuclear repulsion energy	143.578053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3137	7.87
2	A'	3072	3056	15.96
3	A'	3057	3041	1.35
4	A'	2956	2940	25.73
5	A'	1633	1625	27.14
6	A'	1449	1442	5.00
7	A'	1380	1372	3.67
8	A'	1310	1303	43.15
9	A'	1224	1217	0.85
10	A'	1061	1055	0.91
11	A'	909	905	24.21
12	A'	710	707	55.07
13	A'	538	535	3.81
14	A'	214	213	1.14
15	A"	2997	2981	17.23
16	A"	1453	1446	8.39
17	A"	1030	1024	1.24
18	A"	897	893	0.44
19	A"	680	677	56.63
20	A"	390	388	1.91
21	A"	105	105	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.927	0.000
C2	-1.253	0.440	0.000
C3	-1.695	-1.001	0.000
Cl4	1.469	-0.074	0.000
H5	0.238	1.991	0.000
H6	-2.042	1.203	0.000
H7	-0.841	-1.692	0.000
H8	-2.318	-1.217	0.886
H9	-2.318	-1.217	-0.886

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3444	2.5671	1.7776	1.0900	2.0607	2.7508	3.2793	3.2793
C2	1.3444		1.5074	2.7702	2.1511	1.0974	2.1719	2.1597	2.1597
C3	2.5671	1.5074		3.2966	3.5617	2.2310	1.0988	1.1045	1.1045
Cl4	1.7776	2.7702	3.2966		2.4040	3.7360	2.8198	4.0534	4.0534
H5	1.0900	2.1511	3.5617	2.4040		2.4124	3.8376	4.1959	4.1959
H6	2.0607	1.0974	2.2310	3.7360	2.4124		3.1344	2.5915	2.5915
H7	2.7508	2.1719	1.0988	2.8198	3.8376	3.1344		1.7870	1.7870
H8	3.2793	2.1597	1.1045	4.0534	4.1959	2.5915	1.7870		1.7722
H9	3.2793	2.1597	1.1045	4.0534	4.1959	2.5915	1.7870	1.7722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.270	C1	C2	H6	114.744
C2	C1	Cl4	124.490	C2	C1	H5	123.836
C2	C3	H7	111.938	C2	C3	H8	110.616
C2	C3	H9	110.616	C3	C2	H6	116.986
Cl4	C1	H5	111.675	H7	C3	H8	108.397
H7	C3	H9	108.397	H8	C3	H9	106.694

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

using model chemistry: BLYP/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	-0.193
2	C	0.148
3	C	-0.754
4	Cl	0.020
5	H	0.163
6	H	0.131
7	H	0.166
8	H	0.159
9	H	0.159

	x	y	z	Total
	-1.773	0.404	0.000	1.818
CHELPG
AIM
ESP

	x	y	z
x	10.269	0.369	0.000
y	0.369	7.057	0.000
z	0.000	0.000	5.231

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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