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	hartrees
Energy at 0K	-570.931607
Energy at 298.15K	-570.936302
Nuclear repulsion energy	139.311836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3442	3184	0.04
2	A	3359	3108	1.23
3	A	3347	3096	1.95
4	A	3293	3046	15.55
5	A	3232	2990	0.77
6	A	1757	1626	1.35
7	A	1572	1454	1.97
8	A	1518	1405	2.85
9	A	1366	1264	0.18
10	A	1312	1213	25.46
11	A	1250	1157	2.29
12	A	1131	1047	0.32
13	A	1053	974	7.19
14	A	961	889	9.97
15	A	956	884	20.49
16	A	917	848	1.04
17	A	785	726	35.37
18	A	612	566	4.62
19	A	402	372	0.59
20	A	270	250	5.69
21	A	101	94	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	2.233	-0.331	-0.267
C2	1.184	0.060	0.491
C3	-0.029	0.807	-0.074
Cl4	-1.570	-0.287	-0.041
H5	2.275	-0.133	-1.354
H6	3.099	-0.859	0.171
H7	1.157	-0.152	1.578
H8	-0.296	1.701	0.537
H9	0.120	1.102	-1.137

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3522	2.5396	3.8099	1.1054	1.1049	2.1437	3.3419	2.6970
C2	1.3522		1.5328	2.8262	2.1519	2.1484	1.1076	2.2098	2.2064
C3	2.5396	1.5328		1.8902	2.7977	3.5528	2.2484	1.1148	1.1129
Cl4	3.8099	2.8262	1.8902		4.0654	4.7086	3.1737	2.4306	2.4467
H5	1.1054	2.1519	2.7977	4.0654		1.8793	3.1378	3.6799	2.4924
H6	1.1049	2.1484	3.5528	4.7086	1.8793		2.5009	4.2676	3.7987
H7	2.1437	1.1076	2.2484	3.1737	3.1378	2.5009		2.5740	3.1650
H8	3.3419	2.2098	1.1148	2.4306	3.6799	4.2676	2.5740		1.8257
H9	2.6970	2.2064	1.1129	2.4467	2.4924	3.7987	3.1650	1.8257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.229	C1	C2	H7	120.943
C2	C1	H5	121.909	C2	C1	H6	121.611
C2	C3	Cl4	110.881	C2	C3	H8	112.198
C2	C3	H9	112.041	C3	C2	H7	115.828
Cl4	C3	H8	105.022	Cl4	C3	H9	106.219
H5	C1	H6	116.478	H8	C3	H9	110.086

All results from a given calculation for C₃H₅Cl (1-Propene, 3-chloro-)

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	-0.141
2	C	-0.064
3	C	-0.100
4	Cl	-0.164
5	H	0.082
6	H	0.086
7	H	0.087
8	H	0.108
9	H	0.106

	x	y	z	Total
	2.079	1.151	-0.021	2.376
CHELPG
AIM
ESP

	x	y	z
x	5.501	-0.176	-0.567
y	-0.176	2.147	-0.016
z	-0.567	-0.016	2.681

<r²>	133.494
(<r²>)^1/2	11.554

All results from a given calculation for C3H5Cl (1-Propene, 3-chloro-)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for C₃H₅Cl (1-Propene, 3-chloro-)