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	hartrees
Energy at 0K	-577.459792
Energy at 298.15K	-577.464634
Nuclear repulsion energy	143.009703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3156	6.22
2	A'	3165	3044	14.19
3	A'	3148	3028	1.94
4	A'	3041	2925	22.07
5	A'	1726	1660	17.18
6	A'	1529	1471	5.93
7	A'	1465	1410	6.39
8	A'	1371	1319	45.65
9	A'	1280	1232	0.18
10	A'	1117	1075	0.13
11	A'	958	922	19.56
12	A'	713	686	51.76
13	A'	542	522	7.27
14	A'	224	215	1.57
15	A"	3093	2975	20.85
16	A"	1533	1475	11.93
17	A"	1102	1060	0.01
18	A"	970	933	2.07
19	A"	726	698	63.83
20	A"	406	391	2.20
21	A"	112	108	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.946	0.000
C2	-1.250	0.489	0.000
C3	-1.715	-0.937	0.000
Cl4	1.475	-0.136	0.000
H5	0.290	1.986	0.000
H6	-2.026	1.256	0.000
H7	-0.876	-1.637	0.000
H8	-2.336	-1.142	0.882
H9	-2.336	-1.142	-0.882

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3314	2.5468	1.8292	1.0802	2.0495	2.7275	3.2547	3.2547
C2	1.3314		1.4996	2.7962	2.1487	1.0909	2.1585	2.1483	2.1483
C3	2.5468	1.4996		3.2889	3.5451	2.2151	1.0921	1.0979	1.0979
Cl4	1.8292	2.7962	3.2889		2.4305	3.7675	2.7897	4.0390	4.0390
H5	1.0802	2.1487	3.5451	2.4305		2.4287	3.8066	4.1787	4.1787
H6	2.0495	1.0909	2.2151	3.7675	2.4287		3.1130	2.5737	2.5737
H7	2.7275	2.1585	1.0921	2.7897	3.8066	3.1130		1.7756	1.7756
H8	3.2547	2.1483	1.0979	4.0390	4.1787	2.5737	1.7756		1.7635
H9	3.2547	2.1483	1.0979	4.0390	4.1787	2.5737	1.7756	1.7635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.117	C1	C2	H6	115.225
C2	C1	Cl4	123.663	C2	C1	H5	125.676
C2	C3	H7	111.815	C2	C3	H8	110.647
C2	C3	H9	110.647	C3	C2	H6	116.658
Cl4	C1	H5	110.661	H7	C3	H8	108.348
H7	C3	H9	108.348	H8	C3	H9	106.866

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	-0.341
2	C	-0.024
3	C	-0.461
4	Cl	0.007
5	H	0.182
6	H	0.148
7	H	0.175
8	H	0.158
9	H	0.158

	x	y	z	Total
	-2.214	0.729	0.000	2.331
CHELPG
AIM
ESP

	x	y	z
x	8.808	-0.026	0.000
y	-0.026	5.683	0.000
z	0.000	0.000	3.098

<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/6-31G

States and conformations

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