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	hartrees
Energy at 0K	-681.539896
Energy at 298.15K	-681.543085
HF Energy	-681.539896
Nuclear repulsion energy	255.083843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3426	3169	18.31
2	A'	3412	3156	21.90
3	A'	3388	3135	13.39
4	A'	1620	1498	17.13
5	A'	1515	1401	25.72
6	A'	1427	1320	21.39
7	A'	1268	1173	12.91
8	A'	1198	1109	27.75
9	A'	1139	1054	5.48
10	A'	1089	1008	5.41
11	A'	1042	964	6.02
12	A'	898	831	14.84
13	A'	880	814	2.45
14	A'	475	440	3.55
15	A'	276	255	0.34
16	A"	867	802	0.02
17	A"	798	739	10.32
18	A"	707	654	27.57
19	A"	587	543	0.03
20	A"	543	503	0.57
21	A"	205	190	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.265
C2	1.356	-0.059
C3	1.411	-1.516
C4	0.102	-1.981
O5	-0.840	-0.896
Cl6	-0.863	1.846
H7	2.201	0.647
H8	2.324	-2.132
H9	-0.350	-2.988

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3938	2.2725	2.2483	1.4333	1.8011	2.2337	3.3390	3.2723
C2	1.3938		1.4590	2.2951	2.3500	2.9238	1.1007	2.2888	3.3900
C3	2.2725	1.4590		1.3887	2.3346	4.0590	2.3029	1.1016	2.2945
C4	2.2483	2.2951	1.3887		1.4366	3.9468	3.3629	2.2273	1.1040
O5	1.4333	2.3500	2.3346	1.4366		2.7425	3.4098	3.3970	2.1490
Cl6	1.8011	2.9238	4.0590	3.9468	2.7425		3.2900	5.0974	4.8618
H7	2.2337	1.1007	2.3029	3.3629	3.4098	3.2900		2.7816	4.4404
H8	3.3390	2.2888	1.1016	2.2273	3.3970	5.0974	2.7816		2.8072
H9	3.2723	3.3900	2.2945	1.1040	2.1490	4.8618	4.4404	2.8072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.589	C1	C2	H7	126.738
C1	O5	C4	103.151	C2	C1	O5	112.452
C2	C1	Cl6	132.043	C2	C3	C4	107.374
C2	C3	H8	126.152	C3	C2	H7	127.673
C3	C4	O5	111.434	C3	C4	H9	133.665
C4	C3	H8	126.474	O5	C1	Cl6	115.505
O5	C4	H9	114.901

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.084
2	C	-0.102
3	C	-0.102
4	C	-0.004
5	O	-0.092
6	Cl	-0.075
7	H	0.098
8	H	0.092
9	H	0.100

	x	y	z	Total
	1.110	-1.585	0.000	1.935
CHELPG
AIM
ESP

	x	y	z
x	5.090	-1.181	0.000
y	-1.181	7.241	0.000
z	0.000	0.000	0.850

<r²>	190.999
(<r²>)^1/2	13.820

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

using model chemistry: BLYP/STO-3G

States and conformations

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