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	hartrees
Energy at 0K	-680.050697
Energy at 298.15K	-680.054216
HF Energy	-679.743258
Nuclear repulsion energy	257.765950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3591	3192	15.41
2	A'	3577	3180	18.68
3	A'	3557	3162	10.34
4	A'	1686	1498	5.10
5	A'	1604	1426	36.42
6	A'	1506	1339	27.20
7	A'	1393	1238	47.60
8	A'	1298	1154	11.41
9	A'	1226	1090	2.36
10	A'	1165	1035	7.74
11	A'	1096	974	2.81
12	A'	961	854	16.18
13	A'	933	829	2.44
14	A'	511	454	1.36
15	A'	294	262	0.65
16	A"	935	831	0.02
17	A"	869	772	5.61
18	A"	784	697	20.50
19	A"	635	564	0.03
20	A"	606	539	1.74
21	A"	230	204	0.06

Atom	x (Å)	y (Å)
C1	0.000	0.259
C2	1.345	-0.078
C3	1.373	-1.533
C4	0.056	-1.956
O5	-0.837	-0.868
Cl6	-0.823	1.841
H7	2.193	0.614
H8	2.262	-2.173
H9	-0.411	-2.950

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3869	2.2577	2.2158	1.4037	1.7836	2.2217	3.3210	3.2353
C2	1.3869		1.4557	2.2780	2.3209	2.8959	1.0946	2.2865	3.3664
C3	2.2577	1.4557		1.3829	2.3079	4.0263	2.2992	1.0951	2.2776
C4	2.2158	2.2780	1.3829		1.4079	3.8979	3.3428	2.2163	1.0982
O5	1.4037	2.3209	2.3079	1.4079		2.7092	3.3732	3.3625	2.1256
Cl6	1.7836	2.8959	4.0263	3.8979	2.7092		3.2561	5.0626	4.8092
H7	2.2217	1.0946	2.2992	3.3428	3.3732	3.2561		2.7882	4.4143
H8	3.3210	2.2865	1.0951	2.2163	3.3625	5.0626	2.7882		2.7832
H9	3.2353	3.3664	2.2776	1.0982	2.1256	4.8092	4.4143	2.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.142	C1	C2	H7	126.690
C1	O5	C4	104.016	C2	C1	O5	112.547
C2	C1	Cl6	131.544	C2	C3	C4	106.716
C2	C3	H8	126.803	C3	C2	H7	128.168
C3	C4	O5	111.580	C3	C4	H9	132.947
C4	C3	H8	126.481	O5	C1	Cl6	115.909
O5	C4	H9	115.472

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

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

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