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	hartrees
Energy at 0K	-132.231296
Energy at 298.15K	-132.236097
Nuclear repulsion energy	96.254468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	3144	11.25
2	A'	3173	3050	20.10
3	A'	3154	3031	3.52
4	A'	3040	2922	23.47
5	A'	1703	1637	20.13
6	A'	1508	1450	11.29
7	A'	1446	1389	13.53
8	A'	1345	1293	36.83
9	A'	1260	1212	0.05
10	A'	1104	1061	0.22
11	A'	950	913	22.49
12	A'	710	682	49.56
13	A'	536	515	5.26
14	A'	216	208	1.71
15	A"	3108	2988	28.36
16	A"	1515	1456	16.87
17	A"	1083	1041	0.06
18	A"	958	920	1.04
19	A"	713	685	87.16
20	A"	403	387	2.88
21	A"	117	112	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.951	0.000
C2	-1.256	0.479	0.000
C3	-1.710	-0.959	0.000
Cl4	1.475	-0.123	0.000
H5	0.278	1.997	0.000
H6	-2.040	1.241	0.000
H7	-0.863	-1.651	0.000
H8	-2.329	-1.165	0.884
H9	-2.329	-1.165	-0.884

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3422	2.5631	1.8244	1.0829	2.0602	2.7412	3.2684	3.2684
C2	1.3422		1.5074	2.7971	2.1591	1.0927	2.1659	2.1529	2.1529
C3	2.5631	1.5074		3.2928	3.5624	2.2242	1.0935	1.0989	1.0989
Cl4	1.8244	2.7971	3.2928		2.4343	3.7700	2.7936	4.0421	4.0421
H5	1.0829	2.1591	3.5624	2.4343		2.4384	3.8227	4.1930	4.1930
H6	2.0602	1.0927	2.2242	3.7700	2.4384		3.1220	2.5798	2.5798
H7	2.7412	2.1659	1.0935	2.7936	3.8227	3.1220		1.7790	1.7790
H8	3.2684	2.1529	1.0989	4.0421	4.1930	2.5798	1.7790		1.7683
H9	3.2684	2.1529	1.0989	4.0421	4.1930	2.5798	1.7790	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	128.083	C1	C2	H6	115.201
C2	C1	Cl4	123.374	C2	C1	H5	125.490
C2	C3	H7	111.777	C2	C3	H8	110.408
C2	C3	H9	110.408	C3	C2	H6	116.716
Cl4	C1	H5	111.137	H7	C3	H8	108.481
H7	C3	H9	108.481	H8	C3	H9	107.142

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

using model chemistry: B3LYP/LANL2DZ

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	-0.352
2	C	-0.002
3	C	-0.669
4	Cl	-0.099
5	H	0.250
6	H	0.207
7	H	0.233
8	H	0.217
9	H	0.217

	x	y	z	Total
	-2.220	0.678	0.000	2.321
CHELPG
AIM
ESP

	x	y	z
x	8.459	0.005	0.000
y	0.005	5.404	0.000
z	0.000	0.000	3.038

<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/LANL2DZ

States and conformations

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