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	hartrees
Energy at 0K	-689.328521
Energy at 298.15K	-689.322676
HF Energy	-689.612059
Nuclear repulsion energy	264.532199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	3181	0.12
2	A'	3292	3161	0.23
3	A'	3271	3141	2.76
4	A'	1621	1556	19.03
5	A'	1522	1462	57.86
6	A'	1420	1363	15.14
7	A'	1259	1209	9.33
8	A'	1211	1163	45.96
9	A'	1151	1106	11.00
10	A'	1096	1053	17.63
11	A'	1035	994	20.46
12	A'	936	899	32.96
13	A'	897	861	1.68
14	A'	491	471	5.64
15	A'	313	300	0.37
16	A"	866	832	0.05
17	A"	802	770	24.51
18	A"	728	699	39.88
19	A"	624	599	5.95
20	A"	610	586	3.78
21	A"	223	214	1.30

Atom	x (Å)	y (Å)
C1	0.000	0.266
C2	1.312	-0.094
C3	1.310	-1.530
C4	0.006	-1.914
O5	-0.816	-0.817
Cl6	-0.769	1.803
H7	2.162	0.572
H8	2.173	-2.181
H9	-0.499	-2.868

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3608	2.2225	2.1801	1.3561	1.7184	2.1839	3.2722	3.1730
C2	1.3608		1.4356	2.2406	2.2478	2.8160	1.0798	2.2572	3.3126
C3	2.2225	1.4356		1.3595	2.2419	3.9276	2.2679	1.0811	2.2497
C4	2.1801	2.2406	1.3595		1.3706	3.7967	3.2912	2.1833	1.0787
O5	1.3561	2.2478	2.2419	1.3706		2.6202	3.2863	3.2851	2.0747
Cl6	1.7184	2.8160	3.9276	3.7967	2.6202		3.1794	4.9520	4.6780
H7	2.1839	1.0798	2.2679	3.2912	3.2863	3.1794		2.7527	4.3488
H8	3.2722	2.2572	1.0811	2.1833	3.2851	4.9520	2.7527		2.7585
H9	3.1730	3.3126	2.2497	1.0787	2.0747	4.6780	4.3488	2.7585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.224	C1	C2	H7	126.589
C1	O5	C4	106.092	C2	C1	O5	111.706
C2	C1	Cl6	131.925	C2	C3	C4	106.524
C2	C3	H8	126.952	C3	C2	H7	128.187
C3	C4	O5	110.454	C3	C4	H9	134.315
C4	C3	H8	126.524	O5	C1	Cl6	116.370
O5	C4	H9	115.230

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

using model chemistry: G3B3

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	0.149
2	C	-0.169
3	C	-0.171
4	C	0.076
5	O	-0.395
6	Cl	0.036
7	H	0.158
8	H	0.151
9	H	0.165

	x	y	z	Total
	1.283	-1.264	0.000	1.801
CHELPG
AIM
ESP

<r²>	180.351
(<r²>)^1/2	13.429

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

using model chemistry: G3B3

States and conformations

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