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	hartrees
Energy at 0K	-577.220927
Energy at 298.15K
HF Energy	-577.220927
Nuclear repulsion energy	142.360757

Atom	x (Å)	y (Å)	z (Å)
C1	-1.750	-0.767	0.033
C2	-1.299	0.481	-0.058
C3	0.113	0.950	0.075
Cl4	1.347	-0.342	-0.030
H5	-1.081	-1.602	0.223
H6	-2.806	-0.985	-0.085
H7	-1.999	1.295	-0.253
H8	0.352	1.674	-0.710
H9	0.263	1.447	1.039

	C1	C2	C3	Cl4	H5	H6	H7	H8	H9
C1		1.3305	2.5340	3.1261	1.0857	1.0851	2.0973	3.3059	3.1571
C2	1.3305		1.4939	2.7712	2.1129	2.1029	1.0909	2.1387	2.1392
C3	2.5340	1.4939		1.7896	2.8213	3.5060	2.1647	1.0943	1.0943
Cl4	3.1261	2.7712	1.7896		2.7470	4.2028	3.7313	2.3487	2.3485
H5	1.0857	2.1129	2.8213	2.7470		1.8573	3.0758	3.6952	3.4303
H6	1.0851	2.1029	3.5060	4.2028	1.8573		2.4252	4.1755	4.0743
H7	2.0973	1.0909	2.1647	3.7313	3.0758	2.4252		2.4243	2.6092
H8	3.3059	2.1387	1.0943	2.3487	3.6952	4.1755	2.4243		1.7653
H9	3.1571	2.1392	1.0943	2.3485	3.4303	4.0743	2.6092	1.7653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.484	C1	C2	H7	119.700
C2	C1	H5	121.640	C2	C1	H6	120.706
C2	C3	Cl4	114.826	C2	C3	H8	110.500
C2	C3	H9	110.534	C3	C2	H7	112.816
Cl4	C3	H8	106.559	Cl4	C3	H9	106.542
H5	C1	H6	117.654	H8	C3	H9	107.528

Number	Element	Mulliken
1	C	-0.521
2	C	0.204
3	C	-0.678
4	Cl	0.034
5	H	0.154
6	H	0.166
7	H	0.187
8	H	0.227
9	H	0.227

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

using model chemistry: HSEh1PBE/6-31+G**

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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	x	y	z	Total
	1.818	0.918	0.001	2.036
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	136.836
(<r²>)^1/2	11.698

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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