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	hartrees
Energy at 0K	-574.722037
Energy at 298.15K	-574.726932
HF Energy	-574.722037
Nuclear repulsion energy	145.663981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3101	5.40
2	A'	3210	3042	4.53
3	A'	3176	3010	2.69
4	A'	3077	2917	10.96
5	A'	1741	1650	13.81
6	A'	1548	1467	8.31
7	A'	1472	1395	14.00
8	A'	1412	1338	28.18
9	A'	1310	1242	0.46
10	A'	1132	1073	0.52
11	A'	951	902	24.47
12	A'	763	723	44.50
13	A'	580	550	1.81
14	A'	234	221	1.08
15	A"	3134	2970	10.81
16	A"	1561	1479	14.08
17	A"	1117	1059	0.10
18	A"	1006	953	0.89
19	A"	740	702	72.71
20	A"	414	392	3.18
21	A"	93	89	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.898	0.000
C2	-1.245	0.419	0.000
C3	-1.729	-1.000	0.000
Cl4	1.489	-0.056	0.000
H5	0.178	1.968	0.000
H6	-2.027	1.174	0.000
H7	-0.913	-1.719	0.000
H8	-2.353	-1.189	0.883
H9	-2.353	-1.189	-0.883

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3338	2.5675	1.7680	1.0851	2.0459	2.7712	3.2668	3.2668
C2	1.3338		1.4990	2.7742	2.1040	1.0879	2.1627	2.1430	2.1430
C3	2.5675	1.4990		3.3533	3.5284	2.1948	1.0875	1.0975	1.0975
Cl4	1.7680	2.7742	3.3533		2.4111	3.7248	2.9208	4.1015	4.1015
H5	1.0851	2.1040	3.5284	2.4111		2.3442	3.8449	4.1421	4.1421
H6	2.0459	1.0879	2.1948	3.7248	2.3442		3.1002	2.5440	2.5440
H7	2.7712	2.1627	1.0875	2.9208	3.8449	3.1002		1.7704	1.7704
H8	3.2668	2.1430	1.0975	4.1015	4.1421	2.5440	1.7704		1.7656
H9	3.2668	2.1430	1.0975	4.1015	4.1421	2.5440	1.7704	1.7656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	129.916	C1	C2	H6	114.927
C2	C1	Cl4	126.287	C2	C1	H5	120.533
C2	C3	H7	112.504	C2	C3	H8	110.288
C2	C3	H9	110.288	C3	C2	H6	115.157
Cl4	C1	H5	113.180	H7	C3	H8	108.239
H7	C3	H9	108.239	H8	C3	H9	107.103

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

using model chemistry: wB97X-D/3-21G*

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	-0.345
2	C	-0.189
3	C	-0.666
4	Cl	-0.011
5	H	0.263
6	H	0.237
7	H	0.246
8	H	0.233
9	H	0.233

	x	y	z	Total
	-1.873	0.523	0.000	1.944
CHELPG
AIM
ESP

	x	y	z
x	8.332	0.210	0.000
y	0.210	5.476	0.000
z	0.000	0.000	3.085

<r²>	119.634
(<r²>)^1/2	10.938

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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