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	hartrees
Energy at 0K	-689.216500
Energy at 298.15K	-689.220246
HF Energy	-688.943568
Nuclear repulsion energy	264.733848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3339	3170	0.03
2	A'	3318	3149	0.19
3	A'	3299	3131	2.09
4	A'	1625	1542	18.64
5	A'	1534	1456	55.92
6	A'	1430	1357	13.55
7	A'	1269	1204	12.87
8	A'	1224	1162	50.72
9	A'	1163	1104	8.92
10	A'	1103	1047	14.93
11	A'	1046	993	20.95
12	A'	938	890	31.33
13	A'	898	853	2.07
14	A'	497	472	4.62
15	A'	315	299	0.38
16	A"	841	798	0.22
17	A"	792	752	28.77
18	A"	725	688	40.05
19	A"	621	590	9.54
20	A"	601	570	1.21
21	A"	222	211	1.41

Atom	x (Å)	y (Å)
C1	0.000	0.268
C2	1.311	-0.097
C3	1.305	-1.531
C4	-0.000	-1.913
O5	-0.821	-0.813
Cl6	-0.762	1.802
H7	2.162	0.566
H8	2.165	-2.184
H9	-0.507	-2.864

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3612	2.2222	2.1807	1.3575	1.7126	2.1823	3.2706	3.1722
C2	1.3612		1.4338	2.2401	2.2494	2.8112	1.0786	2.2546	3.3106
C3	2.2222	1.4338		1.3601	2.2437	3.9213	2.2654	1.0796	2.2494
C4	2.1807	2.2401	1.3601		1.3719	3.7918	3.2896	2.1820	1.0773
O5	1.3575	2.2494	2.2437	1.3719		2.6157	3.2864	3.2852	2.0741
Cl6	1.7126	2.8112	3.9213	3.7918	2.6157		3.1738	4.9446	4.6722
H7	2.1823	1.0786	2.2654	3.2896	3.2864	3.1738		2.7503	4.3459
H8	3.2706	2.2546	1.0796	2.1820	3.2852	4.9446	2.7503		2.7568
H9	3.1722	3.3106	2.2494	1.0773	2.0741	4.6722	4.3459	2.7568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.294	C1	C2	H7	126.497
C1	O5	C4	106.056	C2	C1	O5	111.661
C2	C1	Cl6	131.955	C2	C3	C4	106.567
C2	C3	H8	126.970	C3	C2	H7	128.210
C3	C4	O5	110.422	C3	C4	H9	134.366
C4	C3	H8	126.462	O5	C1	Cl6	116.383
O5	C4	H9	115.212

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

using model chemistry: B2PLYP/6-31G*

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	0.146
2	C	-0.190
3	C	-0.194
4	C	0.067
5	O	-0.404
6	Cl	0.042
7	H	0.179
8	H	0.171
9	H	0.183

	x	y	z	Total
	1.300	-1.273	0.000	1.819
CHELPG
AIM
ESP

	x	y	z
x	7.828	-1.186	0.000
y	-1.186	9.993	0.000
z	0.000	0.000	3.225

<r²>	180.089
(<r²>)^1/2	13.420

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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