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	hartrees
Energy at 0K	-685.654069
Energy at 298.15K	-685.657790
HF Energy	-685.470203
Nuclear repulsion energy	259.261792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3356	3195	0.33
2	A'	3335	3175	1.25
3	A'	3309	3150	0.75
4	A'	1587	1511	22.16
5	A'	1489	1418	38.78
6	A'	1391	1324	21.15
7	A'	1280	1219	8.78
8	A'	1178	1122	19.79
9	A'	1123	1069	31.10
10	A'	1035	985	18.22
11	A'	1019	970	15.53
12	A'	918	874	5.52
13	A'	898	854	30.46
14	A'	448	426	5.38
15	A'	273	260	0.10
16	A"	901	857	1.16
17	A"	862	821	23.58
18	A"	759	723	73.07
19	A"	635	604	0.54
20	A"	615	586	8.82
21	A"	222	211	2.61

Atom	x (Å)	y (Å)
C1	0.000	0.254
C2	1.316	-0.081
C3	1.355	-1.530
C4	0.065	-1.972
O5	-0.821	-0.867
Cl6	-0.813	1.847
H7	2.147	0.597
H8	2.240	-2.141
H9	-0.404	-2.937

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3578	2.2406	2.2274	1.3900	1.7880	2.1747	3.2795	3.2163
C2	1.3578		1.4493	2.2668	2.2766	2.8723	1.0737	2.2576	3.3327
C3	2.2406	1.4493		1.3634	2.2748	4.0130	2.2705	1.0753	2.2516
C4	2.2274	2.2668	1.3634		1.4164	3.9185	3.3074	2.1812	1.0723
O5	1.3900	2.2766	2.2748	1.4164		2.7138	3.3102	3.3154	2.1111
Cl6	1.7880	2.8723	4.0130	3.9185	2.7138		3.2136	5.0224	4.8008
H7	2.1747	1.0737	2.2705	3.3074	3.3102	3.2136		2.7403	4.3585
H8	3.2795	2.2576	1.0753	2.1812	3.3154	5.0224	2.7403		2.7603
H9	3.2163	3.3327	2.2516	1.0723	2.1111	4.8008	4.3585	2.7603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.869	C1	C2	H7	126.461
C1	O5	C4	105.059	C2	C1	O5	111.891
C2	C1	Cl6	131.378	C2	C3	C4	107.360
C2	C3	H8	126.181	C3	C2	H7	127.669
C3	C4	O5	109.820	C3	C4	H9	134.824
C4	C3	H8	126.459	O5	C1	Cl6	116.731
O5	C4	H9	115.356

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

using model chemistry: B2PLYP=FULL/3-21G

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: B2PLYP=FULL/3-21G

States and conformations

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