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	hartrees
Energy at 0K	-689.540240
Energy at 298.15K	-689.543846
HF Energy	-689.540240
Nuclear repulsion energy	262.854752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3200	0.07
2	A'	3203	3185	0.23
3	A'	3179	3162	2.77
4	A'	1539	1531	16.72
5	A'	1449	1441	46.37
6	A'	1351	1343	17.75
7	A'	1204	1198	2.34
8	A'	1148	1141	33.79
9	A'	1102	1095	17.84
10	A'	1035	1030	19.99
11	A'	998	992	19.66
12	A'	897	892	27.04
13	A'	870	865	1.66
14	A'	471	468	5.55
15	A'	300	299	0.26
16	A"	807	802	0.01
17	A"	760	756	30.54
18	A"	688	684	27.29
19	A"	600	597	4.45
20	A"	589	586	2.37
21	A"	215	214	0.95

Atom	x (Å)	y (Å)
C1	0.000	0.270
C2	1.322	-0.091
C3	1.323	-1.533
C4	0.012	-1.927
O5	-0.823	-0.824
Cl6	-0.778	1.810
H7	2.173	0.579
H8	2.192	-2.183
H9	-0.495	-2.884

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3706	2.2360	2.1969	1.3687	1.7260	2.1952	3.2894	3.1923
C2	1.3706		1.4417	2.2551	2.2665	2.8334	1.0836	2.2654	3.3318
C3	2.2360	1.4417		1.3684	2.2595	3.9487	2.2772	1.0852	2.2648
C4	2.1969	2.2551	1.3684		1.3834	3.8201	3.3094	2.1942	1.0830
O5	1.3687	2.2665	2.2595	1.3834		2.6348	3.3083	3.3064	2.0856
Cl6	1.7260	2.8334	3.9487	3.8201	2.6348		3.1980	4.9768	4.7027
H7	2.1952	1.0836	2.2772	3.3094	3.3083	3.1980		2.7627	4.3720
H8	3.2894	2.2654	1.0852	2.1942	3.3064	4.9768	2.7627		2.7764
H9	3.1923	3.3318	2.2648	1.0830	2.0856	4.7027	4.3720	2.7764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.300	C1	C2	H7	126.484
C1	O5	C4	105.929	C2	C1	O5	111.668
C2	C1	Cl6	132.082	C2	C3	C4	106.715
C2	C3	H8	126.837	C3	C2	H7	128.216
C3	C4	O5	110.388	C3	C4	H9	134.677
C4	C3	H8	126.448	O5	C1	Cl6	116.250
O5	C4	H9	114.935

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

using model chemistry: BLYP/6-31G(2df,p)

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	0.258
2	C	-0.190
3	C	-0.140
4	C	-0.012
5	O	-0.110
6	Cl	-0.130
7	H	0.105
8	H	0.096
9	H	0.122

	x	y	z	Total
	1.139	-1.197	0.000	1.652
CHELPG
AIM
ESP

	x	y	z
x	8.582	-1.336	0.000
y	-1.336	11.215	0.000
z	0.000	0.000	4.127

<r²>	182.259
(<r²>)^1/2	13.500

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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