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	hartrees
Energy at 0K	-577.505510
Energy at 298.15K	-577.510357
Nuclear repulsion energy	144.962515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3114	9.14
2	A'	3163	3038	14.52
3	A'	3148	3023	1.69
4	A'	3044	2923	21.07
5	A'	1720	1652	18.61
6	A'	1513	1453	3.30
7	A'	1444	1386	2.56
8	A'	1368	1313	38.94
9	A'	1271	1221	0.98
10	A'	1107	1063	0.53
11	A'	947	909	20.98
12	A'	751	721	50.75
13	A'	562	540	2.17
14	A'	225	216	1.15
15	A"	3089	2967	19.44
16	A"	1515	1455	7.32
17	A"	1075	1033	0.28
18	A"	948	911	1.04
19	A"	712	684	44.68
20	A"	404	388	2.04
21	A"	119	114	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.918	0.000
C2	-1.241	0.435	0.000
C3	-1.673	-0.999	0.000
Cl4	1.452	-0.069	0.000
H5	0.229	1.977	0.000
H6	-2.031	1.187	0.000
H7	-0.820	-1.681	0.000
H8	-2.290	-1.217	0.881
H9	-2.290	-1.217	-0.881

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3318	2.5446	1.7561	1.0833	2.0483	2.7254	3.2527	3.2527
C2	1.3318		1.4979	2.7401	2.1305	1.0901	2.1578	2.1462	2.1462
C3	2.5446	1.4979		3.2604	3.5321	2.2151	1.0923	1.0978	1.0978
Cl4	1.7561	2.7401	3.2604		2.3840	3.7023	2.7853	4.0123	4.0123
H5	1.0833	2.1305	3.5321	2.3840		2.3938	3.8054	4.1623	4.1623
H6	2.0483	1.0901	2.2151	3.7023	2.3938		3.1131	2.5733	2.5733
H7	2.7254	2.1578	1.0923	2.7853	3.8054	3.1131		1.7762	1.7762
H8	3.2527	2.1462	1.0978	4.0123	4.1623	2.5733	1.7762		1.7624
H9	3.2527	2.1462	1.0978	4.0123	4.1623	2.5733	1.7762	1.7624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.020	C1	C2	H6	115.135
C2	C1	Cl4	124.513	C2	C1	H5	123.476
C2	C3	H7	111.873	C2	C3	H8	110.607
C2	C3	H9	110.607	C3	C2	H6	116.844
Cl4	C1	H5	112.011	H7	C3	H8	108.399
H7	C3	H9	108.399	H8	C3	H9	106.784

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

using model chemistry: B3LYP/6-31G*

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	-0.263
2	C	-0.049
3	C	-0.491
4	Cl	-0.039
5	H	0.184
6	H	0.148
7	H	0.181
8	H	0.164
9	H	0.164

	x	y	z	Total
	-1.764	0.492	0.000	1.831
CHELPG
AIM
ESP

	x	y	z
x	8.834	0.257	0.000
y	0.257	5.899	0.000
z	0.000	0.000	3.507

<r²>	121.344
(<r²>)^1/2	11.016

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

using model chemistry: B3LYP/6-31G*

States and conformations

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