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	hartrees
Energy at 0K	-684.596166
Energy at 298.15K	-684.599878
HF Energy	-684.048563
Nuclear repulsion energy	258.558203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3339	3339	0.06
2	A'	3320	3320	0.65
3	A'	3293	3293	0.69
4	A'	1616	1616	15.28
5	A'	1513	1513	40.47
6	A'	1403	1403	18.74
7	A'	1296	1296	18.33
8	A'	1199	1199	30.24
9	A'	1131	1131	33.14
10	A'	1056	1056	20.42
11	A'	1023	1023	7.53
12	A'	925	925	15.11
13	A'	912	912	26.23
14	A'	448	448	3.43
15	A'	275	275	0.12
16	A"	849	849	8.46
17	A"	836	836	18.08
18	A"	755	755	65.67
19	A"	634	634	4.28
20	A"	602	602	8.67
21	A"	224	224	3.01

Atom	x (Å)	y (Å)
C1	0.000	0.254
C2	1.320	-0.059
C3	1.382	-1.520
C4	0.095	-1.974
O5	-0.805	-0.881
Cl6	-0.847	1.840
H7	2.144	0.635
H8	2.277	-2.121
H9	-0.359	-2.949

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3567	2.2482	2.2297	1.3908	1.7984	2.1774	3.2902	3.2226
C2	1.3567		1.4623	2.2731	2.2783	2.8817	1.0771	2.2735	3.3425
C3	2.2482	1.4623		1.3639	2.2779	4.0320	2.2859	1.0786	2.2523
C4	2.2297	2.2731	1.3639		1.4163	3.9287	3.3170	2.1865	1.0758
O5	1.3908	2.2783	2.2779	1.4163		2.7208	3.3153	3.3222	2.1157
Cl6	1.7984	2.8817	4.0320	3.9287	2.7208		3.2247	5.0452	4.8135
H7	2.1774	1.0771	2.2859	3.3170	3.3153	3.2247		2.7597	4.3716
H8	3.2902	2.2735	1.0786	2.1865	3.3222	5.0452	2.7597		2.7632
H9	3.2226	3.3425	2.2523	1.0758	2.1157	4.8135	4.3716	2.7632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.731	C1	C2	H7	126.553
C1	O5	C4	105.177	C2	C1	O5	112.032
C2	C1	Cl6	131.438	C2	C3	C4	107.038
C2	C3	H8	126.293	C3	C2	H7	127.716
C3	C4	O5	110.023	C3	C4	H9	134.459
C4	C3	H8	126.670	O5	C1	Cl6	116.530
O5	C4	H9	115.518

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

using model chemistry: MP3=FULL/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: MP3=FULL/3-21G

States and conformations

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