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	hartrees
Energy at 0K	-689.227353
Energy at 298.15K	-689.231124
HF Energy	-688.949034
Nuclear repulsion energy	264.789351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3342	0.01
2	A'	3324	3324	0.30
3	A'	3304	3304	2.00
4	A'	1625	1625	18.07
5	A'	1534	1534	57.38
6	A'	1429	1429	13.07
7	A'	1268	1268	13.01
8	A'	1223	1223	50.52
9	A'	1162	1162	8.38
10	A'	1102	1102	15.06
11	A'	1044	1044	20.73
12	A'	938	938	31.06
13	A'	898	898	1.90
14	A'	497	497	4.60
15	A'	316	316	0.37
16	A"	850	850	0.12
17	A"	798	798	25.43
18	A"	730	730	40.49
19	A"	622	622	8.80
20	A"	601	601	1.29
21	A"	222	222	1.37

Atom	x (Å)	y (Å)
C1	0.000	0.268
C2	1.311	-0.097
C3	1.305	-1.530
C4	-0.000	-1.913
O5	-0.821	-0.813
Cl6	-0.762	1.801
H7	2.160	0.566
H8	2.163	-2.183
H9	-0.503	-2.863

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3611	2.2217	2.1804	1.3572	1.7124	2.1801	3.2684	3.1712
C2	1.3611		1.4335	2.2400	2.2493	2.8109	1.0766	2.2531	3.3086
C3	2.2217	1.4335		1.3600	2.2435	3.9207	2.2640	1.0777	2.2466
C4	2.1804	2.2400	1.3600		1.3719	3.7913	3.2878	2.1797	1.0756
O5	1.3572	2.2493	2.2435	1.3719		2.6153	3.2841	3.2829	2.0745
Cl6	1.7124	2.8109	3.9207	3.7913	2.6153		3.1718	4.9424	4.6718
H7	2.1801	1.0766	2.2640	3.2878	3.2841	3.1718		2.7490	4.3420
H8	3.2684	2.2531	1.0777	2.1797	3.2829	4.9424	2.7490		2.7517
H9	3.1712	3.3086	2.2466	1.0756	2.0745	4.6718	4.3420	2.7517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.281	C1	C2	H7	126.455
C1	O5	C4	106.053	C2	C1	O5	111.676
C2	C1	Cl6	131.948	C2	C3	C4	106.583
C2	C3	H8	127.008	C3	C2	H7	128.265
C3	C4	O5	110.408	C3	C4	H9	134.227
C4	C3	H8	126.410	O5	C1	Cl6	116.376
O5	C4	H9	115.365

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

using model chemistry: B2PLYP/6-31G**

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	0.137
2	C	-0.132
3	C	-0.145
4	C	0.120
5	O	-0.409
6	Cl	0.043
7	H	0.130
8	H	0.122
9	H	0.135

	x	y	z	Total
	1.279	-1.249	0.000	1.788
CHELPG
AIM
ESP

	x	y	z
x	7.861	-1.182	0.000
y	-1.182	10.029	0.000
z	0.000	0.000	3.255

<r²>	180.046
(<r²>)^1/2	13.418

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

using model chemistry: B2PLYP/6-31G**

States and conformations

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