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	hartrees
Energy at 0K	-689.349439
Energy at 298.15K	-689.353196
HF Energy	-689.019076
Nuclear repulsion energy	265.106999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3315	3315	0.23
2	A'	3293	3293	0.15
3	A'	3274	3274	2.77
4	A'	1606	1606	20.92
5	A'	1518	1518	58.36
6	A'	1415	1415	16.37
7	A'	1256	1256	9.25
8	A'	1210	1210	59.06
9	A'	1154	1154	8.25
10	A'	1092	1092	17.56
11	A'	1036	1036	23.44
12	A'	938	938	29.68
13	A'	901	901	1.84
14	A'	495	495	4.96
15	A'	314	314	0.54
16	A"	836	836	0.42
17	A"	784	784	30.43
18	A"	724	724	56.39
19	A"	625	625	9.56
20	A"	602	602	2.54
21	A"	220	220	2.29

Atom	x (Å)	y (Å)
C1	0.000	0.266
C2	1.308	-0.104
C3	1.294	-1.538
C4	-0.013	-1.910
O5	-0.825	-0.807
Cl6	-0.748	1.804
H7	2.160	0.555
H8	2.148	-2.197
H9	-0.526	-2.856

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3596	2.2198	2.1751	1.3531	1.7112	2.1797	3.2675	3.1651
C2	1.3596		1.4340	2.2373	2.2459	2.8059	1.0774	2.2547	3.3068
C3	2.2198	1.4340		1.3589	2.2411	3.9171	2.2655	1.0784	2.2467
C4	2.1751	2.2373	1.3589		1.3687	3.7860	3.2862	2.1801	1.0761
O5	1.3531	2.2459	2.2411	1.3687		2.6128	3.2812	3.2812	2.0699
Cl6	1.7112	2.8059	3.9171	3.7860	2.6128		3.1656	4.9394	4.6653
H7	2.1797	1.0774	2.2655	3.2862	3.2812	3.1656		2.7520	4.3416
H8	3.2675	2.2547	1.0784	2.1801	3.2812	4.9394	2.7520		2.7538
H9	3.1651	3.3068	2.2467	1.0761	2.0699	4.6653	4.3416	2.7538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.205	C1	C2	H7	126.482
C1	O5	C4	106.095	C2	C1	O5	111.765
C2	C1	Cl6	131.713	C2	C3	C4	106.438
C2	C3	H8	127.070	C3	C2	H7	128.313
C3	C4	O5	110.496	C3	C4	H9	134.323
C4	C3	H8	126.492	O5	C1	Cl6	116.522
O5	C4	H9	115.181

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

using model chemistry: B2PLYP=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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