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	hartrees
Energy at 0K	-34.854217
Energy at 298.15K	-34.858970
Nuclear repulsion energy	59.189128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3107	17.03
2	A'	3157	3048	19.77
3	A'	3139	3031	1.45
4	A'	3041	2937	29.91
5	A'	1707	1649	22.22
6	A'	1480	1429	5.50
7	A'	1415	1366	2.68
8	A'	1323	1278	40.54
9	A'	1231	1188	0.56
10	A'	1085	1048	0.89
11	A'	930	898	22.67
12	A'	739	713	57.71
13	A'	543	525	1.18
14	A'	220	212	1.05
15	A"	3089	2983	33.73
16	A"	1486	1435	11.71
17	A"	1048	1012	1.61
18	A"	921	889	0.21
19	A"	697	673	79.65
20	A"	384	371	2.03
21	A"	111	107	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.936	0.000
C2	-1.267	0.439	0.000
C3	-1.675	-1.023	0.000
Cl4	1.463	-0.066	0.000
H5	0.232	2.003	0.000
H6	-2.064	1.193	0.000
H7	-0.801	-1.691	0.000
H8	-2.293	-1.249	0.889
H9	-2.293	-1.249	-0.889

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3608	2.5770	1.7731	1.0924	2.0798	2.7460	3.2894	3.2894
C2	1.3608		1.5174	2.7760	2.1666	1.0974	2.1797	2.1660	2.1660
C3	2.5770	1.5174		3.2803	3.5767	2.2498	1.0995	1.1060	1.1060
Cl4	1.7731	2.7760	3.2803		2.4079	3.7448	2.7868	4.0365	4.0365
H5	1.0924	2.1666	3.5767	2.4079		2.4345	3.8358	4.2121	4.2121
H6	2.0798	1.0974	2.2498	3.7448	2.4345		3.1480	2.6090	2.6090
H7	2.7460	2.1797	1.0995	2.7868	3.8358	3.1480		1.7914	1.7914
H8	3.2894	2.1660	1.1060	4.0365	4.2121	2.6090	1.7914		1.7781
H9	3.2894	2.1660	1.1060	4.0365	4.2121	2.6090	1.7914	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.020	C1	C2	H6	115.152
C2	C1	Cl4	124.170	C2	C1	H5	123.681
C2	C3	H7	111.809	C2	C3	H8	110.318
C2	C3	H9	110.318	C3	C2	H6	117.828
Cl4	C1	H5	112.149	H7	C3	H8	108.628
H7	C3	H9	108.628	H8	C3	H9	106.995

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	-0.281
2	C	-0.128
3	C	-0.487
4	Cl	-0.120
5	H	0.253
6	H	0.262
7	H	0.199
8	H	0.152
9	H	0.152

	x	y	z	Total
	-1.879	0.471	0.000	1.937
CHELPG
AIM
ESP

	x	y	z
x	9.122	0.258	0.000
y	0.258	5.972	0.000
z	0.000	0.000	3.584

<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))