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	hartrees
Energy at 0K	-34.811973
Energy at 298.15K	-34.816723
Nuclear repulsion energy	58.588417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3143	20.11
2	A'	3164	3064	25.39
3	A'	3139	3040	4.22
4	A'	3035	2939	35.16
5	A'	1695	1641	20.53
6	A'	1494	1447	9.03
7	A'	1436	1390	7.38
8	A'	1328	1286	45.32
9	A'	1242	1203	0.02
10	A'	1095	1060	0.15
11	A'	942	912	21.82
12	A'	704	682	57.68
13	A'	530	513	3.46
14	A'	218	211	1.38
15	A"	3097	2999	44.97
16	A"	1502	1454	17.89
17	A"	1072	1038	0.61
18	A"	940	910	1.08
19	A"	709	686	103.65
20	A"	387	374	1.93
21	A"	104	101	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.961	0.000
C2	-1.278	0.485	0.000
C3	-1.719	-0.972	0.000
Cl4	1.488	-0.122	0.000
H5	0.286	2.013	0.000
H6	-2.063	1.253	0.000
H7	-0.861	-1.659	0.000
H8	-2.340	-1.185	0.890
H9	-2.340	-1.185	-0.890

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3635	2.5859	1.8405	1.0905	2.0838	2.7576	3.2973	3.2973
C2	1.3635		1.5223	2.8321	2.1862	1.0981	2.1849	2.1705	2.1705
C3	2.5859	1.5223		3.3171	3.5953	2.2513	1.0993	1.1060	1.1060
Cl4	1.8405	2.8321	3.3171		2.4504	3.8083	2.8068	4.0712	4.0712
H5	1.0905	2.1862	3.5953	2.4504		2.4691	3.8471	4.2328	4.2328
H6	2.0838	1.0981	2.2513	3.8083	2.4691		3.1508	2.6104	2.6104
H7	2.7576	2.1849	1.0993	2.8068	3.8471	3.1508		1.7900	1.7900
H8	3.2973	2.1705	1.1060	4.0712	4.2328	2.6104	1.7900		1.7792
H9	3.2973	2.1705	1.1060	4.0712	4.2328	2.6104	1.7900	1.7792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.215	C1	C2	H6	115.253
C2	C1	Cl4	123.556	C2	C1	H5	125.605
C2	C3	H7	111.893	C2	C3	H8	110.337
C2	C3	H9	110.337	C3	C2	H6	117.532
Cl4	C1	H5	110.839	H7	C3	H8	108.518
H7	C3	H9	108.518	H8	C3	H9	107.092

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

using model chemistry: B3LYP/CEP-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	-0.386
2	C	-0.039
3	C	-0.491
4	Cl	-0.065
5	H	0.247
6	H	0.240
7	H	0.196
8	H	0.150
9	H	0.150

	x	y	z	Total
	-2.366	0.701	0.000	2.468
CHELPG
AIM
ESP

	x	y	z
x	8.976	-0.081	0.000
y	-0.081	5.642	0.000
z	0.000	0.000	3.006

<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/CEP-31G

States and conformations

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