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	hartrees
Energy at 0K	-688.384844
Energy at 298.15K	-688.388655
HF Energy	-687.524893
Nuclear repulsion energy	265.129879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3374	3164	0.47
2	A'	3358	3149	0.32
3	A'	3340	3131	1.95
4	A'	1680	1575	12.57
5	A'	1584	1486	59.10
6	A'	1461	1370	11.27
7	A'	1308	1227	50.38
8	A'	1259	1180	33.75
9	A'	1183	1110	8.50
10	A'	1131	1061	17.23
11	A'	1061	994	18.83
12	A'	954	894	31.02
13	A'	907	850	1.80
14	A'	507	475	2.90
15	A'	321	301	0.40
16	A"	838	786	2.14
17	A"	799	749	21.07
18	A"	749	702	42.95
19	A"	626	587	11.00
20	A"	584	548	1.27
21	A"	227	213	1.73

Atom	x (Å)	y (Å)
C1	0.000	0.267
C2	1.308	-0.093
C3	1.303	-1.531
C4	0.001	-1.910
O5	-0.821	-0.813
Cl6	-0.760	1.798
H7	2.153	0.571
H8	2.159	-2.184
H9	-0.498	-2.861

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3562	2.2212	2.1770	1.3567	1.7093	2.1746	3.2663	3.1679
C2	1.3562		1.4385	2.2380	2.2469	2.8019	1.0751	2.2576	3.3052
C3	2.2212	1.4385		1.3564	2.2423	3.9171	2.2676	1.0760	2.2391
C4	2.1770	2.2380	1.3564		1.3704	3.7852	3.2843	2.1756	1.0744
O5	1.3567	2.2469	2.2423	1.3704		2.6120	3.2803	3.2800	2.0736
Cl6	1.7093	2.8019	3.9171	3.7852	2.6120		3.1611	4.9373	4.6670
H7	2.1746	1.0751	2.2676	3.2843	3.2803	3.1611		2.7547	4.3370
H8	3.2663	2.2576	1.0760	2.1756	3.2800	4.9373	2.7547		2.7421
H9	3.1679	3.3052	2.2391	1.0744	2.0736	4.6670	4.3370	2.7421

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.229	C1	C2	H7	126.475
C1	O5	C4	105.932	C2	C1	O5	111.832
C2	C1	Cl6	131.793	C2	C3	C4	106.364
C2	C3	H8	127.153	C3	C2	H7	128.296
C3	C4	O5	110.642	C3	C4	H9	133.859
C4	C3	H8	126.482	O5	C1	Cl6	116.375
O5	C4	H9	115.499

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

using model chemistry: CCD/6-31G**

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: CCD/6-31G**

States and conformations

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