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	hartrees
Energy at 0K	-688.432439
Energy at 298.15K	-688.436249
HF Energy	-687.556591
Nuclear repulsion energy	263.598646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3321	3186	0.05
2	A'	3306	3171	0.58
3	A'	3284	3151	1.81
4	A'	1642	1575	19.83
5	A'	1562	1498	58.56
6	A'	1422	1364	11.45
7	A'	1255	1204	36.20
8	A'	1223	1173	36.65
9	A'	1159	1112	4.91
10	A'	1096	1051	16.54
11	A'	1023	982	24.86
12	A'	935	897	26.64
13	A'	893	856	1.14
14	A'	498	478	3.39
15	A'	313	300	0.30
16	A"	860	825
17	A"	809	776	17.19
18	A"	750	720	50.85
19	A"	629	604	6.02
20	A"	599	574	4.47
21	A"	228	219	1.96

Atom	x (Å)	y (Å)
C1	0.000	0.267
C2	1.318	-0.096
C3	1.307	-1.547
C4	-0.010	-1.915
O5	-0.829	-0.812
Cl6	-0.757	1.809
H7	2.175	0.576
H8	2.168	-2.215
H9	-0.521	-2.876

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3666	2.2349	2.1820	1.3600	1.7185	2.1967	3.2951	3.1858
C2	1.3666		1.4511	2.2529	2.2630	2.8167	1.0889	2.2836	3.3337
C3	2.2349	1.4511		1.3676	2.2586	3.9396	2.2934	1.0902	2.2602
C4	2.1820	2.2529	1.3676		1.3743	3.7987	3.3140	2.1988	1.0882
O5	1.3600	2.2630	2.2586	1.3743		2.6217	3.3089	3.3093	2.0877
Cl6	1.7185	2.8167	3.9396	3.7987	2.6217		3.1808	4.9750	4.6915
H7	2.1967	1.0889	2.2934	3.3140	3.3089	3.1808		2.7911	4.3803
H8	3.2951	2.2836	1.0902	2.1988	3.3093	4.9750	2.7911		2.7691
H9	3.1858	3.3337	2.2602	1.0882	2.0877	4.6915	4.3803	2.7691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.924	C1	C2	H7	126.551
C1	O5	C4	105.877	C2	C1	O5	112.195
C2	C1	Cl6	131.510	C2	C3	C4	106.084
C2	C3	H8	127.370	C3	C2	H7	128.525
C3	C4	O5	110.919	C3	C4	H9	133.632
C4	C3	H8	126.546	O5	C1	Cl6	116.295
O5	C4	H9	115.449

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

using model chemistry: QCISD/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/cc-pVDZ

States and conformations

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