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	hartrees
Energy at 0K	-688.631693
Energy at 298.15K	-688.635605
HF Energy	-687.548467
Nuclear repulsion energy	266.933004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3373	3373	0.20
2	A'	3363	3363	1.52
3	A'	3342	3342	1.00
4	A'	1662	1662	18.63
5	A'	1570	1570	50.95
6	A'	1444	1444	19.06
7	A'	1300	1300	55.12
8	A'	1255	1255	17.16
9	A'	1193	1193	7.75
10	A'	1125	1125	15.07
11	A'	1051	1051	21.58
12	A'	961	961	28.02
13	A'	914	914	1.11
14	A'	513	513	3.25
15	A'	320	320	0.29
16	A"	872	872	0.08
17	A"	829	829	20.87
18	A"	772	772	44.42
19	A"	660	660	3.86
20	A"	622	622	5.88
21	A"	238	238	1.61

Atom	x (Å)	y (Å)
C1	0.000	0.263
C2	1.301	-0.101
C3	1.282	-1.536
C4	-0.021	-1.893
O5	-0.822	-0.797
Cl6	-0.738	1.791
H7	2.148	0.557
H8	2.127	-2.198
H9	-0.532	-2.836

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3508	2.2089	2.1558	1.3411	1.6967	2.1683	3.2531	3.1444
C2	1.3508		1.4354	2.2272	2.2339	2.7809	1.0727	2.2547	3.2928
C3	2.2089	1.4354		1.3513	2.2297	3.8918	2.2654	1.0739	2.2318
C4	2.1558	2.2272	1.3513		1.3570	3.7527	3.2726	2.1700	1.0727
O5	1.3411	2.2339	2.2297	1.3570		2.5892	3.2641	3.2649	2.0598
Cl6	1.6967	2.7809	3.8918	3.7527	2.5892		3.1384	4.9113	4.6317
H7	2.1683	1.0727	2.2654	3.2726	3.2641	3.1384		2.7559	4.3242
H8	3.2531	2.2547	1.0739	2.1700	3.2649	4.9113	2.7559		2.7343
H9	3.1444	3.2928	2.2318	1.0727	2.0598	4.6317	4.3242	2.7343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.854	C1	C2	H7	126.559
C1	O5	C4	106.070	C2	C1	O5	112.175
C2	C1	Cl6	131.380	C2	C3	C4	106.073
C2	C3	H8	127.342	C3	C2	H7	128.587
C3	C4	O5	110.829	C3	C4	H9	133.736
C4	C3	H8	126.585	O5	C1	Cl6	116.446
O5	C4	H9	115.435

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

using model chemistry: MP3=FULL/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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All results from a given calculation for C4H3ClO (Furan, 2-chloro)

using model chemistry: MP3=FULL/6-31G(2df,p)

States and conformations

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