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	hartrees
Energy at 0K	-574.779766
Energy at 298.15K	-574.784657
Nuclear repulsion energy	145.099218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3119	6.51
2	A'	3163	3043	8.07
3	A'	3144	3024	1.85
4	A'	3046	2930	14.59
5	A'	1703	1639	15.68
6	A'	1548	1490	4.96
7	A'	1465	1409	8.75
8	A'	1395	1342	31.42
9	A'	1295	1246	0.38
10	A'	1124	1081	0.55
11	A'	936	901	22.82
12	A'	735	707	46.91
13	A'	564	543	4.16
14	A'	235	226	1.06
15	A"	3087	2970	15.03
16	A"	1557	1497	10.73
17	A"	1106	1064	0.02
18	A"	979	942	1.27
19	A"	726	699	63.34
20	A"	407	392	2.63
21	A"	117	112	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.929	0.000
C2	-1.241	0.454	0.000
C3	-1.658	-0.992	0.000
Cl4	1.443	-0.085	0.000
H5	0.240	1.983	0.000
H6	-2.041	1.192	0.000
H7	-0.789	-1.653	0.000
H8	-2.269	-1.213	0.884
H9	-2.269	-1.213	-0.884

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3290	2.5380	1.7636	1.0809	2.0578	2.7001	3.2440	3.2440
C2	1.3290		1.5049	2.7373	2.1288	1.0883	2.1547	2.1492	2.1492
C3	2.5380	1.5049		3.2308	3.5292	2.2172	1.0920	1.0975	1.0975
Cl4	1.7636	2.7373	3.2308		2.3928	3.7103	2.7273	3.9792	3.9792
H5	1.0809	2.1288	3.5292	2.3928		2.4140	3.7789	4.1589	4.1589
H6	2.0578	1.0883	2.2172	3.7103	2.4140		3.1081	2.5729	2.5729
H7	2.7001	2.1547	1.0920	2.7273	3.7789	3.1081		1.7795	1.7795
H8	3.2440	2.1492	1.0975	3.9792	4.1589	2.5729	1.7795		1.7686
H9	3.2440	2.1492	1.0975	3.9792	4.1589	2.5729	1.7795	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.056	C1	C2	H6	116.341
C2	C1	Cl4	123.924	C2	C1	H5	123.773
C2	C3	H7	111.150	C2	C3	H8	110.375
C2	C3	H9	110.375	C3	C2	H6	116.602
Cl4	C1	H5	112.303	H7	C3	H8	108.737
H7	C3	H9	108.737	H8	C3	H9	107.366

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

using model chemistry: B3LYP/3-21G*

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	-0.310
2	C	-0.156
3	C	-0.609
4	Cl	-0.015
5	H	0.235
6	H	0.208
7	H	0.226
8	H	0.211
9	H	0.211

	x	y	z	Total
	-1.795	0.497	0.000	1.862
CHELPG
AIM
ESP

	x	y	z
x	8.470	0.203	0.000
y	0.203	5.556	0.000
z	0.000	0.000	3.089

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/3-21G*

States and conformations

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