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	hartrees
Energy at 0K	-689.360522
Energy at 298.15K	-689.364310
HF Energy	-689.025155
Nuclear repulsion energy	265.134078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3314	3314	0.05
2	A'	3294	3294	0.40
3	A'	3274	3274	1.93
4	A'	1602	1602	21.17
5	A'	1514	1514	58.62
6	A'	1409	1409	16.81
7	A'	1250	1250	9.97
8	A'	1209	1209	57.72
9	A'	1152	1152	7.52
10	A'	1089	1089	17.73
11	A'	1032	1032	23.91
12	A'	937	937	28.68
13	A'	899	899	1.62
14	A'	495	495	4.93
15	A'	314	314	0.51
16	A"	856	856	0.15
17	A"	797	797	23.36
18	A"	735	735	58.62
19	A"	626	626	7.79
20	A"	603	603	2.84
21	A"	221	221	2.22

Atom	x (Å)	y (Å)
C1	0.000	0.265
C2	1.309	-0.103
C3	1.295	-1.537
C4	-0.012	-1.910
O5	-0.824	-0.807
Cl6	-0.750	1.804
H7	2.159	0.556
H8	2.148	-2.195
H9	-0.521	-2.857

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3596	2.2193	2.1753	1.3527	1.7111	2.1788	3.2662	3.1655
C2	1.3596		1.4339	2.2379	2.2458	2.8057	1.0764	2.2540	3.3064
C3	2.2193	1.4339		1.3589	2.2407	3.9165	2.2648	1.0775	2.2451
C4	2.1753	2.2379	1.3589		1.3691	3.7860	3.2858	2.1788	1.0753
O5	1.3527	2.2458	2.2407	1.3691		2.6121	3.2801	3.2799	2.0716
Cl6	1.7111	2.8057	3.9165	3.7860	2.6121		3.1651	4.9382	4.6660
H7	2.1788	1.0764	2.2648	3.2858	3.2801	3.1651		2.7514	4.3400
H8	3.2662	2.2540	1.0775	2.1788	3.2799	4.9382	2.7514		2.7503
H9	3.1655	3.3064	2.2451	1.0753	2.0716	4.6660	4.3400	2.7503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.175	C1	C2	H7	126.486
C1	O5	C4	106.110	C2	C1	O5	111.789
C2	C1	Cl6	131.714	C2	C3	C4	106.479
C2	C3	H8	127.081	C3	C2	H7	128.339
C3	C4	O5	110.447	C3	C4	H9	134.204
C4	C3	H8	126.439	O5	C1	Cl6	116.497
O5	C4	H9	115.349

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

using model chemistry: B2PLYP=FULL/6-311G**

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/6-311G**

States and conformations

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