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	hartrees
Energy at 0K	-575.683610
Energy at 298.15K	-575.688428
Nuclear repulsion energy	146.541022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3109	5.67
2	A'	3102	3044	5.76
3	A'	3085	3027	1.75
4	A'	2982	2926	11.33
5	A'	1704	1672	21.11
6	A'	1441	1414	5.84
7	A'	1376	1350	11.97
8	A'	1307	1282	29.48
9	A'	1216	1193	2.28
10	A'	1080	1060	1.94
11	A'	945	927	23.51
12	A'	775	760	51.62
13	A'	563	552	0.79
14	A'	228	224	1.17
15	A"	3044	2987	7.29
16	A"	1441	1414	11.02
17	A"	1020	1001	0.00
18	A"	904	887	0.94
19	A"	684	672	53.08
20	A"	399	392	3.20
21	A"	128	125	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.920	0.000
C2	-1.238	0.427	0.000
C3	-1.619	-1.000	0.000
Cl4	1.421	-0.065	0.000
H5	0.227	1.989	0.000
H6	-2.044	1.175	0.000
H7	-0.731	-1.651	0.000
H8	-2.233	-1.249	0.885
H9	-2.233	-1.249	-0.885

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3327	2.5112	1.7290	1.0934	2.0596	2.6730	3.2362	3.2362
C2	1.3327		1.4770	2.7048	2.1417	1.0989	2.1400	2.1407	2.1407
C3	2.5112	1.4770		3.1811	3.5132	2.2157	1.1023	1.1057	1.1057
Cl4	1.7290	2.7048	3.1811		2.3761	3.6801	2.6735	3.9421	3.9421
H5	1.0934	2.1417	3.5132	2.3761		2.4122	3.7646	4.1618	4.1618
H6	2.0596	1.0989	2.2157	3.6801	2.4122		3.1168	2.5874	2.5874
H7	2.6730	2.1400	1.1023	2.6735	3.7646	3.1168		1.7900	1.7900
H8	3.2362	2.1407	1.1057	3.9421	4.1618	2.5874	1.7900		1.7706
H9	3.2362	2.1407	1.1057	3.9421	4.1618	2.5874	1.7900	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.628	C1	C2	H6	115.444
C2	C1	Cl4	123.607	C2	C1	H5	123.658
C2	C3	H7	111.307	C2	C3	H8	111.155
C2	C3	H9	111.155	C3	C2	H6	117.929
Cl4	C1	H5	112.735	H7	C3	H8	108.323
H7	C3	H9	108.323	H8	C3	H9	106.390

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

using model chemistry: LSDA/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	-0.315
2	C	-0.056
3	C	-0.594
4	Cl	-0.009
5	H	0.206
6	H	0.171
7	H	0.203
8	H	0.197
9	H	0.197

	x	y	z	Total
	-1.640	0.414	0.000	1.691
CHELPG
AIM
ESP

	x	y	z
x	8.921	0.323	0.000
y	0.323	6.138	0.000
z	0.000	0.000	3.573

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G*

States and conformations

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