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	hartrees
Energy at 0K	-687.641279
Energy at 298.15K
HF Energy	-687.641279
Nuclear repulsion energy	265.156682

Atom	x (Å)	y (Å)
C1	-1.040	-0.566
C2	0.000	0.273
C3	1.189	-0.535
C4	0.741	-1.790
O5	-0.605	-1.824
Cl6	-0.109	1.979
H7	-2.091	-0.386
H8	2.206	-0.210
H9	1.237	-2.733

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3361	2.2287	2.1603	1.3307	2.7100	1.0667	3.2649	3.1427
C2	1.3361		1.4371	2.1914	2.1822	1.7095	2.1924	2.2578	3.2498
C3	2.2287	1.4371		1.3324	2.2089	2.8288	3.2832	1.0676	2.1981
C4	2.1603	2.1914	1.3324		1.3462	3.8630	3.1607	2.1544	1.0655
O5	1.3307	2.1822	2.2089	1.3462		3.8350	2.0680	3.2411	2.0540
Cl6	2.7100	1.7095	2.8288	3.8630	3.8350		3.0857	3.1854	4.8997
H7	1.0667	2.1924	3.2832	3.1607	2.0680	3.0857		4.3003	4.0723
H8	3.2649	2.2578	1.0676	2.1544	3.2411	3.1854	4.3003		2.7020
H9	3.1427	3.2498	2.1981	1.0655	2.0540	4.8997	4.0723	2.7020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	106.908	C1	C2	Cl6	125.253
C1	O5	C4	107.611	C2	C1	O5	109.830
C2	C1	H7	131.360	C2	C3	C4	104.544
C2	C3	H8	128.089	C3	C2	Cl6	127.838
C3	C4	O5	111.108	C3	C4	H9	132.581
C4	C3	H8	127.367	O5	C1	H7	118.810
O5	C4	H9	116.311

Number	Element	Mulliken
1	C	0.124
2	C	-0.018
3	C	-0.158
4	C	0.133
5	O	-0.347
6	Cl	-0.081
7	H	0.117
8	H	0.112
9	H	0.118

All results from a given calculation for C₄H₃ClO (Furan,3-chloro)

using model chemistry: HF/Def2TZVPP

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
	0.435	-1.168	0.000	1.246
CHELPG
AIM
ESP

	x	y	z
x	8.210	0.098	0.000
y	0.098	10.474	0.000
z	0.000	0.000	5.248

<r²>	181.931
(<r²>)^1/2	13.488

All results from a given calculation for C4H3ClO (Furan,3-chloro)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₃ClO (Furan,3-chloro)