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	hartrees
Energy at 0K	-688.681524
Energy at 298.15K
HF Energy	-687.614502
Nuclear repulsion energy	264.417665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3312	3166
2	A'	3295	3150
3	A'	3274	3130
4	A'	1606	1535
5	A'	1526	1459
6	A'	1409	1347
7	A'	1258	1203
8	A'	1212	1158
9	A'	1152	1101
10	A'	1090	1042
11	A'	1029	984
12	A'	933	892
13	A'	894	854
14	A'	492	471
15	A'	310	297
16	A"	719	687
17	A"	668	639
18	A"	652	623
19	A"	568	543
20	A"	202	193
21	A"	217i	208i

Atom	x (Å)	y (Å)
C1	0.000	0.265
C2	1.312	-0.090
C3	1.311	-1.530
C4	0.008	-1.915
O5	-0.821	-0.818
Cl6	-0.768	1.802
H7	2.156	0.578
H8	2.170	-2.181
H9	-0.491	-2.869

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3586	2.2226	2.1799	1.3586	1.7185	2.1788	3.2700	3.1716
C2	1.3586		1.4400	2.2430	2.2530	2.8114	1.0768	2.2609	3.3120
C3	2.2226	1.4400		1.3591	2.2474	3.9275	2.2710	1.0781	2.2448
C4	2.1799	2.2430	1.3591		1.3746	3.7974	3.2911	2.1786	1.0760
O5	1.3586	2.2530	2.2474	1.3746		2.6208	3.2878	3.2867	2.0770
Cl6	1.7185	2.8114	3.9275	3.7974	2.6208		3.1699	4.9498	4.6791
H7	2.1788	1.0768	2.2710	3.2911	3.2878	3.1699		2.7595	4.3458
H8	3.2700	2.2609	1.0781	2.1786	3.2867	4.9498	2.7595		2.7481
H9	3.1716	3.3120	2.2448	1.0760	2.0770	4.6791	4.3458	2.7481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.116	C1	C2	H7	126.529
C1	O5	C4	105.793	C2	C1	O5	112.023
C2	C1	Cl6	131.671	C2	C3	C4	106.480
C2	C3	H8	127.166	C3	C2	H7	128.354
C3	C4	O5	110.588	C3	C4	H9	134.065
C4	C3	H8	126.354	O5	C1	Cl6	116.306
O5	C4	H9	115.347

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

using model chemistry: CCSD(T)=FULL/TZVP

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: CCSD(T)=FULL/TZVP

States and conformations

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