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	hartrees
Energy at 0K	-684.604693
Energy at 298.15K	-684.608347
HF Energy	-684.046729
Nuclear repulsion energy	257.520585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	3196	0.03
2	A'	3276	3175	0.44
3	A'	3250	3149	0.97
4	A'	1598	1548	16.73
5	A'	1501	1455	35.01
6	A'	1379	1337	17.20
7	A'	1276	1237	13.75
8	A'	1177	1141	19.20
9	A'	1105	1071	42.45
10	A'	1022	990	18.04
11	A'	1004	973	7.59
12	A'	908	880	5.49
13	A'	890	863	34.03
14	A'	439	425	3.40
15	A'	271	262	0.11
16	A"	847	821	2.04
17	A"	839	814	21.38
18	A"	751	728	64.81
19	A"	624	605	2.84
20	A"	595	577	9.71
21	A"	220	214	2.95

Atom	x (Å)	y (Å)
C1	0.000	0.255
C2	1.324	-0.048
C3	1.398	-1.514
C4	0.115	-1.982
O5	-0.806	-0.891
Cl6	-0.864	1.840
H7	2.145	0.653
H8	2.302	-2.108
H9	-0.335	-2.962

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3582	2.2549	2.2400	1.4015	1.8049	2.1818	3.2991	3.2349
C2	1.3582		1.4678	2.2804	2.2906	2.8899	1.0801	2.2803	3.3530
C3	2.2549	1.4678		1.3655	2.2902	4.0455	2.2925	1.0817	2.2581
C4	2.2400	2.2804	1.3655		1.4274	3.9452	3.3264	2.1906	1.0787
O5	1.4015	2.2906	2.2902	1.4274		2.7320	3.3309	3.3376	2.1240
Cl6	1.8049	2.8899	4.0455	3.9452	2.7320		3.2346	5.0606	4.8315
H7	2.1818	1.0801	2.2925	3.3264	3.3309	3.2346		2.7657	4.3842
H8	3.2991	2.2803	1.0817	2.1906	3.3376	5.0606	2.7657		2.7715
H9	3.2349	3.3530	2.2581	1.0787	2.1240	4.8315	4.3842	2.7715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.804	C1	C2	H7	126.591
C1	O5	C4	104.714	C2	C1	O5	112.193
C2	C1	Cl6	131.503	C2	C3	C4	107.138
C2	C3	H8	126.196	C3	C2	H7	127.605
C3	C4	O5	110.152	C3	C4	H9	134.664
C4	C3	H8	126.666	O5	C1	Cl6	116.304
O5	C4	H9	115.184

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

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

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