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	hartrees
Energy at 0K	-687.573121
Energy at 298.15K	-687.577231
HF Energy	-687.573121
Nuclear repulsion energy	266.863339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3457	3148	0.07
2	A'	3435	3128	0.78
3	A'	3413	3108	3.03
4	A'	1757	1600	28.13
5	A'	1665	1516	86.75
6	A'	1516	1380	17.50
7	A'	1341	1221	14.19
8	A'	1294	1178	45.09
9	A'	1218	1109	9.88
10	A'	1167	1063	29.82
11	A'	1082	986	25.29
12	A'	1009	919	32.44
13	A'	963	877	2.63
14	A'	527	480	5.37
15	A'	334	304	0.65
16	A"	979	892	0.45
17	A"	908	827	14.77
18	A"	835	761	79.17
19	A"	693	631	3.19
20	A"	649	591	9.87
21	A"	248	226	2.74

Atom	x (Å)	y (Å)
C1	0.000	0.259
C2	1.299	-0.073
C3	1.307	-1.519
C4	0.020	-1.897
O5	-0.793	-0.813
Cl6	-0.779	1.782
H7	2.134	0.603
H8	2.165	-2.168
H9	-0.467	-2.853

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3403	2.2069	2.1561	1.3341	1.7105	2.1610	3.2521	3.1469
C2	1.3403		1.4460	2.2275	2.2191	2.7850	1.0740	2.2669	3.2934
C3	2.2069	1.4460		1.3419	2.2160	3.9049	2.2767	1.0753	2.2201
C4	2.1561	2.2275	1.3419		1.3546	3.7647	3.2734	2.1621	1.0730
O5	1.3341	2.2191	2.2160	1.3546		2.5956	3.2514	3.2535	2.0654
Cl6	1.7105	2.7850	3.9049	3.7647	2.5956		3.1421	4.9261	4.6455
H7	2.1610	1.0740	2.2767	3.2734	3.2514	3.1421		2.7705	4.3249
H8	3.2521	2.2669	1.0753	2.1621	3.2535	4.9261	2.7705		2.7199
H9	3.1469	3.2934	2.2201	1.0730	2.0654	4.6455	4.3249	2.7199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.693	C1	C2	H7	126.684
C1	O5	C4	106.621	C2	C1	O5	112.144
C2	C1	Cl6	131.424	C2	C3	C4	106.010
C2	C3	H8	127.458	C3	C2	H7	128.623
C3	C4	O5	110.532	C3	C4	H9	133.353
C4	C3	H8	126.532	O5	C1	Cl6	116.432
O5	C4	H9	116.114

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

using model chemistry: HF/aug-cc-pVDZ

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	0.003
2	C	0.714
3	C	0.542
4	C	0.466
5	O	-0.730
6	Cl	-0.215
7	H	-0.242
8	H	-0.283
9	H	-0.255

	x	y	z	Total
	1.450	-1.333	0.000	1.969
CHELPG
AIM
ESP

	x	y	z
x	9.273	-1.099	0.000
y	-1.099	10.987	0.000
z	0.000	0.000	6.071

<r²>	178.521
(<r²>)^1/2	13.361

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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