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	hartrees
Energy at 0K	-689.538145
Energy at 298.15K	-689.541729
HF Energy	-689.538145
Nuclear repulsion energy	261.885425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3209	0.05
2	A'	3205	3188	0.22
3	A'	3182	3165	2.82
4	A'	1540	1532	13.95
5	A'	1450	1442	66.60
6	A'	1355	1348	14.33
7	A'	1206	1200	3.54
8	A'	1142	1136	42.53
9	A'	1092	1086	19.01
10	A'	1032	1027	21.09
11	A'	995	990	25.62
12	A'	893	888	27.91
13	A'	865	860	1.94
14	A'	469	466	6.95
15	A'	303	301	0.71
16	A"	829	825	0.03
17	A"	763	759	30.18
18	A"	685	681	58.22
19	A"	588	585	8.76
20	A"	582	579	0.21
21	A"	210	209	2.06

Atom	x (Å)	y (Å)
C1	0.000	0.272
C2	1.326	-0.089
C3	1.332	-1.533
C4	0.020	-1.937
O5	-0.822	-0.830
Cl6	-0.788	1.815
H7	2.178	0.585
H8	2.206	-2.181
H9	-0.483	-2.898

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3744	2.2434	2.2088	1.3750	1.7325	2.2007	3.2989	3.2063
C2	1.3744		1.4446	2.2633	2.2731	2.8448	1.0861	2.2698	3.3415
C3	2.2434	1.4446		1.3729	2.2665	3.9628	2.2810	1.0876	2.2710
C4	2.2088	2.2633	1.3729		1.3909	3.8376	3.3194	2.1994	1.0847
O5	1.3750	2.2731	2.2665	1.3909		2.6451	3.3177	3.3160	2.0955
Cl6	1.7325	2.8448	3.9628	3.8376	2.6451		3.2109	4.9929	4.7225
H7	2.2007	1.0861	2.2810	3.3194	3.3177	3.2109		2.7664	4.3833
H8	3.2989	2.2698	1.0876	2.1994	3.3160	4.9929	2.7664		2.7827
H9	3.2063	3.3415	2.2710	1.0847	2.0955	4.7225	4.3833	2.7827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.437	C1	C2	H7	126.460
C1	O5	C4	105.984	C2	C1	O5	111.535
C2	C1	Cl6	132.252	C2	C3	C4	106.865
C2	C3	H8	126.804	C3	C2	H7	128.103
C3	C4	O5	110.178	C3	C4	H9	134.728
C4	C3	H8	126.331	O5	C1	Cl6	116.213
O5	C4	H9	115.094

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

using model chemistry: BLYP/6-31+G**

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	-0.275
2	C	0.078
3	C	-0.108
4	C	-0.028
5	O	-0.167
6	Cl	0.109
7	H	0.130
8	H	0.125
9	H	0.134

	x	y	z	Total
	1.321	-1.109	0.000	1.725
CHELPG
AIM
ESP

	x	y	z
x	9.551	-1.300	0.000
y	-1.300	11.974	0.000
z	0.000	0.000	5.730

<r²>	184.267
(<r²>)^1/2	13.574

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

using model chemistry: BLYP/6-31+G**

States and conformations

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