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	hartrees
Energy at 0K	-54.031995
Energy at 298.15K	-54.036067
HF Energy	-54.031995
Nuclear repulsion energy	109.961754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3493	3137	2.37
2	A'	3469	3115	0.79
3	A'	3447	3096	5.18
4	A'	1769	1588	28.35
5	A'	1676	1505	92.65
6	A'	1530	1374	17.92
7	A'	1351	1213	27.49
8	A'	1315	1181	40.14
9	A'	1233	1108	11.80
10	A'	1181	1061	26.59
11	A'	1095	983	28.91
12	A'	1003	901	39.33
13	A'	948	852	2.20
14	A'	528	474	5.51
15	A'	332	298	0.45
16	A"	1005	903	0.11
17	A"	945	849	26.92
18	A"	852	765	84.15
19	A"	680	611	3.69
20	A"	640	575	7.97
21	A"	249	223	3.24

Atom	x (Å)	y (Å)
C1	0.000	0.261
C2	1.314	-0.091
C3	1.300	-1.547
C4	-0.013	-1.906
O5	-0.810	-0.806
Cl6	-0.759	1.802
H7	2.158	0.573
H8	2.147	-2.209
H9	-0.521	-2.852

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3606	2.2273	2.1673	1.3398	1.7172	2.1807	3.2733	3.1564
C2	1.3606		1.4561	2.2486	2.2414	2.8074	1.0739	2.2763	3.3153
C3	2.2273	1.4561		1.3616	2.2368	3.9312	2.2871	1.0752	2.2407
C4	2.1673	2.2486	1.3616		1.3585	3.7818	3.2955	2.1814	1.0737
O5	1.3398	2.2414	2.2368	1.3585		2.6078	3.2730	3.2734	2.0662
Cl6	1.7172	2.8074	3.9312	3.7818	2.6078		3.1658	4.9533	4.6593
H7	2.1807	1.0739	2.2871	3.2955	3.2730	3.1658		2.7825	4.3485
H8	3.2733	2.2763	1.0752	2.1814	3.2734	4.9533	2.7825		2.7447
H9	3.1564	3.3153	2.2407	1.0737	2.0662	4.6593	4.3485	2.7447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.455	C1	C2	H7	126.804
C1	O5	C4	106.874	C2	C1	O5	112.198
C2	C1	Cl6	131.254	C2	C3	C4	105.837
C2	C3	H8	127.487	C3	C2	H7	128.741
C3	C4	O5	110.635	C3	C4	H9	133.542
C4	C3	H8	126.675	O5	C1	Cl6	116.547
O5	C4	H9	115.823

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

using model chemistry: HF/CEP-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	-0.239
2	C	-0.027
3	C	-0.245
4	C	-0.251
5	O	-0.083
6	Cl	-0.058
7	H	0.325
8	H	0.306
9	H	0.271

	x	y	z	Total
	1.501	-1.436	0.000	2.077
CHELPG
AIM
ESP

	x	y	z
x	8.071	-1.152	0.000
y	-1.152	9.582	0.000
z	0.000	0.000	3.775

<r²>	119.885
(<r²>)^1/2	10.949

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

using model chemistry: HF/CEP-31G*

States and conformations

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