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	hartrees
Energy at 0K	-687.643848
Energy at 298.15K	-687.647963
HF Energy	-687.643848
Nuclear repulsion energy	264.972832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3441	3113	1.23
2	A'	3435	3107	0.61
3	A'	3409	3084	0.81
4	A'	1755	1588	18.08
5	A'	1672	1513	14.62
6	A'	1512	1367	5.22
7	A'	1367	1237	2.03
8	A'	1309	1184	56.21
9	A'	1287	1164	9.75
10	A'	1166	1055	37.52
11	A'	1128	1020	25.78
12	A'	1020	923	29.76
13	A'	952	861	33.23
14	A'	511	462	2.06
15	A'	314	284	1.12
16	A"	1010	914	0.56
17	A"	937	848	44.06
18	A"	853	771	29.92
19	A"	685	620	0.67
20	A"	651	589	32.31
21	A"	273	247	0.43

Atom	x (Å)	y (Å)
C1	-1.087	-0.501
C2	0.000	0.271
C3	1.135	-0.607
C4	0.613	-1.837
O5	-0.725	-1.791
Cl6	0.044	1.988
H7	-2.130	-0.280
H8	2.167	-0.336
H9	1.057	-2.806

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3335	2.2248	2.1619	1.3405	2.7336	1.0655	3.2582	3.1481
C2	1.3335		1.4351	2.1951	2.1866	1.7170	2.2000	2.2501	3.2536
C3	2.2248	1.4351		1.3359	2.2055	2.8147	3.2810	1.0669	2.2004
C4	2.1619	2.1951	1.3359		1.3387	3.8663	3.1531	2.1607	1.0663
O5	1.3405	2.1866	2.2055	1.3387		3.8568	2.0629	3.2380	2.0506
Cl6	2.7336	1.7170	2.8147	3.8663	3.8568		3.1416	3.1470	4.8995
H7	1.0655	2.2000	3.2810	3.1531	2.0629	3.1416		4.2968	4.0659
H8	3.2582	2.2501	1.0669	2.1607	3.2380	3.1470	4.2968		2.7084
H9	3.1481	3.2536	2.2004	1.0663	2.0506	4.8995	4.0659	2.7084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	106.889	C1	C2	Cl6	126.847
C1	O5	C4	107.591	C2	C1	O5	109.715
C2	C1	H7	132.686	C2	C3	C4	104.715
C2	C3	H8	127.526	C3	C2	Cl6	126.265
C3	C4	O5	111.090	C3	C4	H9	132.368
C4	C3	H8	127.759	O5	C1	H7	117.599
O5	C4	H9	116.543

All results from a given calculation for C₄H₃ClO (Furan,3-chloro)

using model chemistry: HF/daug-cc-pVTZ

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	-1.146
2	C	1.111
3	C	-0.765
4	C	-0.958
5	O	-0.507
6	Cl	-0.589
7	H	1.095
8	H	0.522
9	H	1.237

	x	y	z	Total
	0.425	-1.189	0.000	1.262
CHELPG
AIM
ESP

	x	y	z
x	8.917	-0.012	0.000
y	-0.012	11.085	0.000
z	0.000	0.000	6.068

<r²>	182.311
(<r²>)^1/2	13.502

All results from a given calculation for C4H3ClO (Furan,3-chloro)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₃ClO (Furan,3-chloro)