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	hartrees
Energy at 0K	-687.591768
Energy at 298.15K	-687.595890
HF Energy	-687.591768
Nuclear repulsion energy	267.715842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3465	3133	1.58
2	A'	3437	3109	0.81
3	A'	3418	3091	5.24
4	A'	1767	1598	32.20
5	A'	1667	1508	84.48
6	A'	1532	1386	18.78
7	A'	1361	1231	15.90
8	A'	1307	1182	48.93
9	A'	1230	1112	15.21
10	A'	1182	1069	35.20
11	A'	1092	987	20.75
12	A'	1020	922	38.86
13	A'	972	879	2.14
14	A'	529	478	5.59
15	A'	338	306	0.61
16	A"	997	902	0.17
17	A"	920	832	17.43
18	A"	845	764	74.39
19	A"	705	638	4.46
20	A"	656	594	11.05
21	A"	250	226	3.05

Atom	x (Å)	y (Å)
C1	0.000	0.257
C2	1.293	-0.078
C3	1.297	-1.520
C4	0.013	-1.891
O5	-0.794	-0.810
Cl6	-0.768	1.781
H7	2.127	0.589
H8	2.150	-2.166
H9	-0.480	-2.837

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3354	2.2007	2.1480	1.3300	1.7067	2.1532	3.2398	3.1316
C2	1.3354		1.4427	2.2190	2.2112	2.7756	1.0687	2.2577	3.2797
C3	2.2007	1.4427		1.3365	2.2085	3.8946	2.2674	1.0697	2.2117
C4	2.1480	2.2190	1.3365		1.3488	3.7541	3.2591	2.1546	1.0673
O5	1.3300	2.2112	2.2085	1.3488		2.5911	3.2391	3.2412	2.0518
Cl6	1.7067	2.7756	3.8946	3.7541	2.5911		3.1315	4.9092	4.6276
H7	2.1532	1.0687	2.2674	3.2591	3.2391	3.1315		2.7559	4.3058
H8	3.2398	2.2577	1.0697	2.1546	3.2412	4.9092	2.7559		2.7138
H9	3.1316	3.2797	2.2117	1.0673	2.0518	4.6276	4.3058	2.7138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.712	C1	C2	H7	126.834
C1	O5	C4	106.614	C2	C1	O5	112.114
C2	C1	Cl6	131.292	C2	C3	C4	105.902
C2	C3	H8	127.325	C3	C2	H7	128.454
C3	C4	O5	110.659	C3	C4	H9	133.575
C4	C3	H8	126.773	O5	C1	Cl6	116.594
O5	C4	H9	115.766

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.206
2	C	-0.249
3	C	-0.296
4	C	0.005
5	O	-0.318
6	Cl	-0.080
7	H	0.249
8	H	0.234
9	H	0.248

	x	y	z	Total
	1.519	-1.446	0.000	2.097
CHELPG
AIM
ESP

	x	y	z
x	7.890	-1.204	0.000
y	-1.204	9.498	0.000
z	0.000	0.000	3.637

<r²>	177.507
(<r²>)^1/2	13.323

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

using model chemistry: HF/6-311G*

States and conformations

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