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	hartrees
Energy at 0K	-53.910433
Energy at 298.15K	-53.914502
HF Energy	-53.910433
Nuclear repulsion energy	108.880820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3475	3171	0.56
2	A'	3443	3141	0.32
3	A'	3421	3122	5.31
4	A'	1723	1572	29.57
5	A'	1626	1483	84.30
6	A'	1496	1365	11.63
7	A'	1349	1231	16.29
8	A'	1276	1165	48.19
9	A'	1209	1104	21.01
10	A'	1128	1030	28.50
11	A'	1093	998	28.73
12	A'	988	902	42.54
13	A'	967	883	6.68
14	A'	504	460	3.82
15	A'	317	289	0.50
16	A"	1016	927	0.10
17	A"	955	872	18.94
18	A"	861	786	109.13
19	A"	669	610	2.68
20	A"	642	586	10.25
21	A"	240	219	4.19

Atom	x (Å)	y (Å)
C1	0.000	0.264
C2	1.312	-0.064
C3	1.349	-1.523
C4	0.061	-1.948
O5	-0.791	-0.854
Cl6	-0.821	1.817
H7	2.140	0.609
H8	2.223	-2.136
H9	-0.407	-2.905

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3526	2.2383	2.2127	1.3692	1.7573	2.1679	3.2714	3.1950
C2	1.3526		1.4587	2.2613	2.2465	2.8447	1.0671	2.2634	3.3204
C3	2.2383	1.4587		1.3561	2.2417	3.9830	2.2735	1.0681	2.2346
C4	2.2127	2.2613	1.3561		1.3868	3.8674	3.2954	2.1699	1.0654
O5	1.3692	2.2465	2.2417	1.3868		2.6714	3.2759	3.2754	2.0870
Cl6	1.7573	2.8447	3.9830	3.8674	2.6714		3.1988	4.9899	4.7407
H7	2.1679	1.0671	2.2735	3.2954	3.2759	3.1988		2.7463	4.3399
H8	3.2714	2.2634	1.0681	2.1699	3.2754	4.9899	2.7463		2.7397
H9	3.1950	3.3204	2.2346	1.0654	2.0870	4.7407	4.3399	2.7397

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.474	C1	C2	H7	126.860
C1	O5	C4	106.804	C2	C1	O5	111.247
C2	C1	Cl6	131.903	C2	C3	C4	106.852
C2	C3	H8	126.512	C3	C2	H7	127.667
C3	C4	O5	109.623	C3	C4	H9	134.340
C4	C3	H8	126.636	O5	C1	Cl6	116.850
O5	C4	H9	116.037

All results from a given calculation for C₄H₃ClO (Furan, 2-chloro)

using model chemistry: HF/CEP-121G

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	-0.123
2	C	-0.152
3	C	-0.139
4	C	-0.126
5	O	-0.272
6	Cl	0.111
7	H	0.245
8	H	0.230
9	H	0.227

	x	y	z	Total
	2.296	-1.723	0.000	2.871
CHELPG
AIM
ESP

	x	y	z
x	8.042	-1.239	0.000
y	-1.239	9.556	0.000
z	0.000	0.000	3.695

<r²>	122.849
(<r²>)^1/2	11.084

All results from a given calculation for C4H3ClO (Furan, 2-chloro)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for C₄H₃ClO (Furan, 2-chloro)