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	hartrees
Energy at 0K	-577.504665
Energy at 298.15K	-577.509521
HF Energy	-577.504665
Nuclear repulsion energy	145.682700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3102	8.45
2	A'	3178	3040	8.90
3	A'	3156	3019	5.01
4	A'	3050	2918	18.71
5	A'	1740	1664	20.11
6	A'	1492	1427	6.14
7	A'	1425	1363	6.50
8	A'	1366	1306	34.95
9	A'	1274	1218	0.46
10	A'	1113	1064	0.95
11	A'	950	909	24.58
12	A'	768	734	53.35
13	A'	576	551	1.61
14	A'	248	237	0.67
15	A"	3109	2974	16.19
16	A"	1493	1428	10.82
17	A"	1067	1021	0.73
18	A"	968	926	0.90
19	A"	714	683	60.44
20	A"	409	391	2.21
21	A"	75	71	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.894	0.000
C2	-1.243	0.416	0.000
C3	-1.727	-0.997	0.000
Cl4	1.486	-0.055	0.000
H5	0.181	1.963	0.000
H6	-2.020	1.178	0.000
H7	-0.912	-1.714	0.000
H8	-2.351	-1.184	0.881
H9	-2.351	-1.184	-0.881

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3314	2.5607	1.7632	1.0852	2.0397	2.7620	3.2591	3.2591
C2	1.3314		1.4940	2.7697	2.1028	1.0880	2.1555	2.1368	2.1368
C3	2.5607	1.4940		3.3486	3.5223	2.1948	1.0852	1.0960	1.0960
Cl4	1.7632	2.7697	3.3486		2.4036	3.7166	2.9158	4.0963	4.0963
H5	1.0852	2.1028	3.5223	2.4036		2.3370	3.8361	4.1349	4.1349
H6	2.0397	1.0880	2.1948	3.7166	2.3370		3.0966	2.5427	2.5427
H7	2.7620	2.1555	1.0852	2.9158	3.8361	3.0966		1.7690	1.7690
H8	3.2591	2.1368	1.0960	4.0963	4.1349	2.5427	1.7690		1.7620
H9	3.2591	2.1368	1.0960	4.0963	4.1349	2.5427	1.7690	1.7620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	129.910	C1	C2	H6	114.558
C2	C1	Cl4	126.449	C2	C1	H5	120.623
C2	C3	H7	112.409	C2	C3	H8	110.239
C2	C3	H9	110.239	C3	C2	H6	115.533
Cl4	C1	H5	112.927	H7	C3	H8	108.388
H7	C3	H9	108.388	H8	C3	H9	107.002

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

using model chemistry: wB97X-D/6-311G**

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	-0.216
2	C	-0.125
3	C	-0.307
4	Cl	-0.079
5	H	0.180
6	H	0.134
7	H	0.145
8	H	0.134
9	H	0.134

	x	y	z	Total
	-1.884	0.447	0.000	1.936
CHELPG
AIM
ESP

	x	y	z
x	9.289	0.233	0.000
y	0.233	6.239	0.000
z	0.000	0.000	3.865

<r²>	120.443
(<r²>)^1/2	10.975

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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