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	hartrees
Energy at 0K	-688.465561
Energy at 298.15K	-688.469289
HF Energy	-687.555074
Nuclear repulsion energy	262.874640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3301	3146
2	A'	3286	3132
3	A'	3265	3112
4	A'	1607	1531
5	A'	1530	1458
6	A'	1403	1338
7	A'	1236	1178
8	A'	1206	1149
9	A'	1147	1093
10	A'	1080	1029
11	A'	1013	965
12	A'	921	877
13	A'	881	840
14	A'	491	468
15	A'	309	294
16	A"	829	790
17	A"	783	746
18	A"	726	692
19	A"	612	583
20	A"	586	558
21	A"	222	212

Atom	x (Å)	y (Å)
C1	0.000	0.268
C2	1.323	-0.100
C3	1.308	-1.552
C4	-0.016	-1.920
O5	-0.835	-0.811
Cl6	-0.755	1.815
H7	2.183	0.570
H8	2.168	-2.224
H9	-0.530	-2.881

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3736	2.2411	2.1881	1.3647	1.7211	2.2038	3.3033	3.1936
C2	1.3736		1.4516	2.2594	2.2723	2.8260	1.0906	2.2854	3.3417
C3	2.2411	1.4516		1.3742	2.2671	3.9484	2.2959	1.0919	2.2681
C4	2.1881	2.2594	1.3742		1.3782	3.8072	3.3226	2.2058	1.0899
O5	1.3647	2.2723	2.2671	1.3782		2.6275	3.3193	3.3190	2.0922
Cl6	1.7211	2.8260	3.9484	3.8072	2.6275		3.1904	4.9856	4.7015
H7	2.2038	1.0906	2.2959	3.3226	3.3193	3.1904		2.7944	4.3903
H8	3.3033	2.2854	1.0919	2.2058	3.3190	4.9856	2.7944		2.7774
H9	3.1936	3.3417	2.2681	1.0899	2.0922	4.7015	4.3903	2.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.952	C1	C2	H7	126.470
C1	O5	C4	105.830	C2	C1	O5	112.162
C2	C1	Cl6	131.569	C2	C3	C4	106.146
C2	C3	H8	127.363	C3	C2	H7	128.578
C3	C4	O5	110.910	C3	C4	H9	133.659
C4	C3	H8	126.491	O5	C1	Cl6	116.269
O5	C4	H9	115.431

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

using model chemistry: QCISD(T)/cc-pVDZ

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: QCISD(T)/cc-pVDZ

States and conformations

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