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	hartrees
Energy at 0K	-689.627726
Energy at 298.15K	-689.631495
HF Energy	-689.627726
Nuclear repulsion energy	264.424612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3306	3183	0.20
2	A'	3285	3163	0.49
3	A'	3265	3143	2.13
4	A'	1606	1546	17.37
5	A'	1512	1456	69.99
6	A'	1408	1355	15.09
7	A'	1249	1203	9.51
8	A'	1203	1158	51.55
9	A'	1142	1100	10.22
10	A'	1088	1047	17.19
11	A'	1029	991	24.70
12	A'	933	898	30.65
13	A'	894	861	1.90
14	A'	491	473	6.11
15	A'	314	302	0.71
16	A"	874	842	0.00
17	A"	805	775	24.70
18	A"	730	703	66.92
19	A"	622	599	5.50
20	A"	605	583	4.72
21	A"	222	214	2.28

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	0.571
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	1.3566	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	3.9284	2.2690	1.0806	2.2508
C4	2.1851	2.2443	1.3613		1.3727	3.7992	3.2944	2.1833	1.0781
O5	1.3566	2.2479	2.2422	1.3727		2.6191	3.2857	3.2848	2.0786
Cl6	1.7164	2.8164	3.9284	3.7992	2.6191		3.1796	4.9528	4.6808
H7	2.1840	1.0793	2.2690	3.2944	3.2857	3.1796		2.7547	4.3513
H8	3.2745	2.2584	1.0806	2.1833	3.2848	4.9528	2.7547		2.7575
H9	3.1779	3.3156	2.2508	1.0781	2.0786	4.6808	4.3513	2.7575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.272	C1	C2	H7	126.507
C1	O5	C4	106.375	C2	C1	O5	111.539
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	116.435
O5	C4	H9	115.490

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

using model chemistry: B3LYPultrafine/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	9.123	-1.191	0.000
y	-1.191	11.278	0.000
z	0.000	0.000	5.485

<r²>	181.105
(<r²>)^1/2	13.458

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

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

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