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	hartrees
Energy at 0K	-54.418886
Energy at 298.15K
HF Energy	-53.901717
Nuclear repulsion energy	106.172842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3186	0.73
2	A'	3235	3157	0.24
3	A'	3214	3137	2.90
4	A'	1518	1481	10.59
5	A'	1442	1407	58.97
6	A'	1353	1321	7.85
7	A'	1221	1191	12.77
8	A'	1150	1122	48.54
9	A'	1107	1081	31.21
10	A'	1030	1005	20.25
11	A'	991	967	25.77
12	A'	875	854	6.56
13	A'	862	841	23.02
14	A'	452	442	1.95
15	A'	285	278	0.50
16	A"	703	686	71.76
17	A"	631	616	32.82
18	A"	606	591	6.61
19	A"	539	526	11.20
20	A"	185	181	3.56
21	A"	371i	362i	4.17

Atom	x (Å)	y (Å)
C1	0.000	0.275
C2	1.351	-0.073
C3	1.391	-1.541
C4	0.072	-1.997
O5	-0.826	-0.879
Cl6	-0.843	1.857
H7	2.189	0.617
H8	2.282	-2.163
H9	-0.412	-2.967

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3952	2.2870	2.2729	1.4186	1.7928	2.2155	3.3389	3.2674
C2	1.3952		1.4683	2.3104	2.3213	2.9223	1.0856	2.2876	3.3882
C3	2.2870	1.4683		1.3956	2.3134	4.0663	2.3009	1.0866	2.2982
C4	2.2729	2.3104	1.3956		1.4340	3.9610	3.3639	2.2161	1.0835
O5	1.4186	2.3213	2.3134	1.4340		2.7356	3.3655	3.3625	2.1286
Cl6	1.7928	2.9223	4.0663	3.9610	2.7356		3.2757	5.0915	4.8428
H7	2.2155	1.0856	2.3009	3.3639	3.3655	3.2757		2.7817	4.4280
H8	3.3389	2.2876	1.0866	2.2161	3.3625	5.0915	2.7817		2.8108
H9	3.2674	3.3882	2.2982	1.0835	2.1286	4.8428	4.4280	2.8108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.983	C1	C2	H7	126.073
C1	O5	C4	105.641	C2	C1	O5	111.166
C2	C1	Cl6	132.491	C2	C3	C4	107.532
C2	C3	H8	126.468	C3	C2	H7	127.944
C3	C4	O5	109.678	C3	C4	H9	135.583
C4	C3	H8	126.000	O5	C1	Cl6	116.343
O5	C4	H9	114.739

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

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

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