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	hartrees
Energy at 0K	-689.627733
Energy at 298.15K	-689.631501
HF Energy	-689.627733
Nuclear repulsion energy	264.421536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3307	3189	0.21
2	A'	3286	3168	0.49
3	A'	3265	3148	2.12
4	A'	1606	1549	17.35
5	A'	1512	1458	69.93
6	A'	1408	1357	15.14
7	A'	1249	1204	9.66
8	A'	1202	1159	51.28
9	A'	1142	1101	10.27
10	A'	1088	1049	17.35
11	A'	1029	992	24.61
12	A'	933	899	30.67
13	A'	894	862	1.92
14	A'	491	473	6.14
15	A'	314	303	0.71
16	A"	874	843	0.00
17	A"	805	776	24.78
18	A"	730	704	66.72
19	A"	622	600	5.51
20	A"	606	584	4.73
21	A"	222	214	2.29

Atom	x (Å)	y (Å)
C1	0.000	0.268
C2	1.313	-0.094
C3	1.309	-1.531
C4	0.004	-1.917
O5	-0.816	-0.816
Cl6	-0.769	1.803
H7	2.163	0.572
H8	2.171	-2.183
H9	-0.500	-2.870

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3622	2.2252	2.1851	1.3567	1.7164	2.1840	3.2745	3.1779
C2	1.3622		1.4369	2.2443	2.2479	2.8164	1.0793	2.2584	3.3156
C3	2.2252	1.4369		1.3613	2.2422	3.9285	2.2691	1.0806	2.2508
C4	2.1851	2.2443	1.3613		1.3727	3.7992	3.2944	2.1833	1.0781
O5	1.3567	2.2479	2.2422	1.3727		2.6191	3.2858	3.2849	2.0786
Cl6	1.7164	2.8164	3.9285	3.7992	2.6191		3.1796	4.9528	4.6808
H7	2.1840	1.0793	2.2691	3.2944	3.2858	3.1796		2.7547	4.3514
H8	3.2745	2.2584	1.0806	2.1833	3.2849	4.9528	2.7547		2.7576
H9	3.1779	3.3156	2.2508	1.0781	2.0786	4.6808	4.3514	2.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.272	C1	C2	H7	126.507
C1	O5	C4	106.373	C2	C1	O5	111.542
C2	C1	Cl6	132.026	C2	C3	C4	106.621
C2	C3	H8	126.976	C3	C2	H7	128.221
C3	C4	O5	110.192	C3	C4	H9	134.317
C4	C3	H8	126.403	O5	C1	Cl6	116.432
O5	C4	H9	115.490

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.280
2	C	0.067
3	C	-0.143
4	C	-0.019
5	O	-0.193
6	Cl	0.127
7	H	0.149
8	H	0.143
9	H	0.150

	x	y	z	Total
	1.345	-1.174	0.000	1.785
CHELPG
AIM
ESP

	x	y	z
x	9.125	-1.191	0.000
y	-1.191	11.279	0.000
z	0.000	0.000	5.487

<r²>	181.108
(<r²>)^1/2	13.458

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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