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	hartrees
Energy at 0K	-681.184867
Energy at 298.15K
HF Energy	-681.076974
Nuclear repulsion energy	258.131159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3571	3571	22.34
2	A'	3556	3556	24.70
3	A'	3533	3533	16.88
4	A'	1704	1704	14.46
5	A'	1599	1599	29.83
6	A'	1499	1499	21.76
7	A'	1358	1358	31.54
8	A'	1280	1280	14.28
9	A'	1204	1204	2.66
10	A'	1157	1157	6.28
11	A'	1088	1088	4.60
12	A'	952	952	18.40
13	A'	925	925	2.65
14	A'	505	505	2.44
15	A'	290	290	0.49
16	A"	935	935	0.04
17	A"	866	866	7.18
18	A"	775	775	25.23
19	A"	626	626	0.17
20	A"	593	593	1.46
21	A"	224	224	0.01

Atom	x (Å)	y (Å)
C1	0.000	0.260
C2	1.339	-0.068
C3	1.380	-1.519
C4	0.076	-1.957
O5	-0.831	-0.876
Cl6	-0.835	1.834
H7	2.183	0.625
H8	2.276	-2.143
H9	-0.380	-2.953

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3787	2.2509	2.2178	1.4073	1.7820	2.2131	3.3095	3.2349
C2	1.3787		1.4513	2.2721	2.3158	2.8889	1.0919	2.2764	3.3582
C3	2.2509	1.4513		1.3751	2.3024	4.0182	2.2895	1.0923	2.2700
C4	2.2178	2.2721	1.3751		1.4112	3.8987	3.3324	2.2079	1.0955
O5	1.4073	2.3158	2.3024	1.4112		2.7098	3.3670	3.3557	2.1253
Cl6	1.7820	2.8889	4.0182	3.8987	2.7098		3.2509	5.0492	4.8082
H7	2.2131	1.0919	2.2895	3.3324	3.3670	3.2509		2.7696	4.4012
H8	3.3095	2.2764	1.0923	2.2079	3.3557	5.0492	2.7696		2.7772
H9	3.2349	3.3582	2.2700	1.0955	2.1253	4.8082	4.4012	2.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.349	C1	C2	H7	126.826
C1	O5	C4	103.788	C2	C1	O5	112.448
C2	C1	Cl6	131.703	C2	C3	C4	106.979
C2	C3	H8	126.427	C3	C2	H7	127.825
C3	C4	O5	111.436	C3	C4	H9	133.190
C4	C3	H8	126.594	O5	C1	Cl6	115.849
O5	C4	H9	115.374

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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: B2PLYP=FULLultrafine/STO-3G

States and conformations

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