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	hartrees
Energy at 0K	-577.527991
Energy at 298.15K	-577.532848
HF Energy	-577.527991
Nuclear repulsion energy	146.105087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	3101	7.27
2	A'	3182	3042	7.70
3	A'	3158	3019	4.19
4	A'	3054	2920	18.27
5	A'	1737	1661	19.28
6	A'	1486	1421	5.08
7	A'	1423	1361	6.79
8	A'	1372	1311	32.16
9	A'	1276	1220	0.13
10	A'	1109	1061	0.44
11	A'	949	907	23.59
12	A'	770	736	45.55
13	A'	574	549	1.21
14	A'	241	230	1.02
15	A"	3110	2973	13.38
16	A"	1496	1430	7.59
17	A"	1071	1024	1.31
18	A"	971	928	0.24
19	A"	713	682	48.25
20	A"	412	394	2.42
21	A"	76	73	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.892	0.000
C2	-1.240	0.414	0.000
C3	-1.723	-0.998	0.000
Cl4	1.483	-0.053	0.000
H5	0.179	1.961	0.000
H6	-2.016	1.174	0.000
H7	-0.908	-1.712	0.000
H8	-2.346	-1.185	0.879
H9	-2.346	-1.185	-0.879

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3289	2.5572	1.7588	1.0831	2.0353	2.7578	3.2546	3.2546
C2	1.3289		1.4919	2.7627	2.0986	1.0858	2.1514	2.1338	2.1338
C3	2.5572	1.4919		3.3418	3.5165	2.1910	1.0832	1.0939	1.0939
Cl4	1.7588	2.7627	3.3418		2.3993	3.7077	2.9100	4.0886	4.0886
H5	1.0831	2.0986	3.5165	2.3993		2.3313	3.8297	4.1282	4.1282
H6	2.0353	1.0858	2.1910	3.7077	2.3313		3.0906	2.5386	2.5386
H7	2.7578	2.1514	1.0832	2.9100	3.8297	3.0906		1.7659	1.7659
H8	3.2546	2.1338	1.0939	4.0886	4.1282	2.5386	1.7659		1.7579
H9	3.2546	2.1338	1.0939	4.0886	4.1282	2.5386	1.7659	1.7579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	129.973	C1	C2	H6	114.513
C2	C1	Cl4	126.384	C2	C1	H5	120.595
C2	C3	H7	112.363	C2	C3	H8	110.270
C2	C3	H9	110.270	C3	C2	H6	115.514
Cl4	C1	H5	113.021	H7	C3	H8	108.414
H7	C3	H9	108.414	H8	C3	H9	106.932

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

using model chemistry: wB97X-D/cc-pVTZ

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	-0.106
2	C	-0.129
3	C	-0.221
4	Cl	-0.108
5	H	0.139
6	H	0.139
7	H	0.100
8	H	0.094
9	H	0.094

	x	y	z	Total
	-1.702	0.437	0.000	1.757
CHELPG
AIM
ESP

	x	y	z
x	9.622	0.361	0.000
y	0.361	6.814	0.000
z	0.000	0.000	4.715

<r²>	119.648
(<r²>)^1/2	10.938

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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