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	hartrees
Energy at 0K	-570.938327
Energy at 298.15K	-570.942880
Nuclear repulsion energy	141.997383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3385	3131	0.50
2	A'	3361	3110	5.38
3	A'	3315	3067	19.98
4	A'	3201	2961	0.55
5	A'	1748	1617	13.71
6	A'	1617	1496	1.91
7	A'	1512	1399	0.91
8	A'	1399	1294	36.76
9	A'	1269	1174	0.30
10	A'	1123	1039	1.47
11	A'	968	896	13.72
12	A'	784	726	29.91
13	A'	562	520	0.39
14	A'	206	190	1.79
15	A"	3339	3089	0.52
16	A"	1619	1498	6.22
17	A"	1114	1031	0.34
18	A"	942	872	0.45
19	A"	701	649	22.81
20	A"	387	358	2.57
21	A"	125	116	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.960	0.000
C2	-1.268	0.488	0.000
C3	-1.693	-0.990	0.000
Cl4	1.470	-0.115	0.000
H5	0.268	2.034	0.000
H6	-2.081	1.243	0.000
H7	-0.801	-1.647	0.000
H8	-2.309	-1.215	0.897
H9	-2.309	-1.215	-0.897

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3530	2.5821	1.8213	1.1072	2.1004	2.7274	3.2967	3.2967
C2	1.3530		1.5374	2.8037	2.1799	1.1098	2.1851	2.1882	2.1882
C3	2.5821	1.5374		3.2819	3.6043	2.2661	1.1076	1.1116	1.1116
Cl4	1.8213	2.8037	3.2819		2.4623	3.8022	2.7400	4.0374	4.0374
H5	1.1072	2.1799	3.6043	2.4623		2.4794	3.8335	4.2434	4.2434
H6	2.1004	1.1098	2.2661	3.8022	2.4794		3.1606	2.6263	2.6263
H7	2.7274	2.1851	1.1076	2.7400	3.8335	3.1606		1.8072	1.8072
H8	3.2967	2.1882	1.1116	4.0374	4.2434	2.6263	1.8072		1.7943
H9	3.2967	2.1882	1.1116	4.0374	4.2434	2.6263	1.8072	1.7943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.476	C1	C2	H6	116.695
C2	C1	Cl4	123.399	C2	C1	H5	124.465
C2	C3	H7	110.353	C2	C3	H8	110.361
C2	C3	H9	110.361	C3	C2	H6	116.829
Cl4	C1	H5	112.135	H7	C3	H8	109.042
H7	C3	H9	109.042	H8	C3	H9	107.621

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

using model chemistry: BLYP/STO-3G

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	-0.057
2	C	-0.065
3	C	-0.217
4	Cl	-0.121
5	H	0.105
6	H	0.089
7	H	0.094
8	H	0.086
9	H	0.086

	x	y	z	Total
	-1.874	0.675	0.000	1.992
CHELPG
AIM
ESP

	x	y	z
x	5.486	-0.016	0.000
y	-0.016	3.272	0.000
z	0.000	0.000	1.292

<r²>	123.409
(<r²>)^1/2	11.109

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

using model chemistry: BLYP/STO-3G

States and conformations

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