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	hartrees
Energy at 0K	-688.423956
Energy at 298.15K	-688.427796
HF Energy	-687.557140
Nuclear repulsion energy	264.014104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3328	3183	0.09
2	A'	3313	3170	0.68
3	A'	3292	3149	1.40
4	A'	1652	1581	15.06
5	A'	1564	1497	60.28
6	A'	1434	1372	13.77
7	A'	1280	1225	65.57
8	A'	1236	1183	18.53
9	A'	1172	1121	7.34
10	A'	1109	1061	15.42
11	A'	1029	985	24.68
12	A'	944	903	26.44
13	A'	899	860	1.07
14	A'	502	480	3.20
15	A'	315	301	0.29
16	A"	866	828	0.00
17	A"	814	779	16.62
18	A"	755	722	51.53
19	A"	636	609	6.06
20	A"	603	577	4.57
21	A"	230	220	1.93

Atom	x (Å)	y (Å)
C1	0.000	0.265
C2	1.316	-0.102
C3	1.298	-1.550
C4	-0.020	-1.911
O5	-0.829	-0.807
Cl6	-0.749	1.810
H7	2.175	0.566
H8	2.155	-2.224
H9	-0.535	-2.870

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3665	2.2319	2.1765	1.3548	1.7170	2.1961	3.2922	3.1804
C2	1.3665		1.4485	2.2496	2.2581	2.8143	1.0885	2.2816	3.3300
C3	2.2319	1.4485		1.3673	2.2537	3.9349	2.2914	1.0898	2.2587
C4	2.1765	2.2496	1.3673		1.3691	3.7921	3.3108	2.1980	1.0879
O5	1.3548	2.2581	2.2537	1.3691		2.6179	3.3033	3.3037	2.0845
Cl6	1.7170	2.8143	3.9349	3.7921	2.6179		3.1775	4.9704	4.6852
H7	2.1961	1.0885	2.2914	3.3108	3.3033	3.1775		2.7903	4.3766
H8	3.2922	2.2816	1.0898	2.1980	3.3037	4.9704	2.7903		2.7665
H9	3.1804	3.3300	2.2587	1.0879	2.0845	4.6852	4.3766	2.7665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.868	C1	C2	H7	126.532
C1	O5	C4	106.071	C2	C1	O5	112.150
C2	C1	Cl6	131.432	C2	C3	C4	106.021
C2	C3	H8	127.450	C3	C2	H7	128.600
C3	C4	O5	110.889	C3	C4	H9	133.516
C4	C3	H8	126.529	O5	C1	Cl6	116.418
O5	C4	H9	115.595

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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