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	hartrees
Energy at 0K	-685.664702
Energy at 298.15K	-685.668292
HF Energy	-685.664702
Nuclear repulsion energy	258.612882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3233	0.52
2	A'	3247	3217	1.27
3	A'	3218	3189	0.88
4	A'	1542	1528	27.55
5	A'	1447	1434	38.80
6	A'	1344	1331	21.10
7	A'	1226	1215	7.58
8	A'	1136	1126	26.72
9	A'	1102	1092	21.25
10	A'	1008	998	20.55
11	A'	993	984	15.46
12	A'	886	878	6.89
13	A'	869	861	24.40
14	A'	444	440	7.06
15	A'	267	265	0.14
16	A"	869	861	0.98
17	A"	816	808	26.05
18	A"	716	710	75.89
19	A"	606	600	0.00
20	A"	596	590	7.59
21	A"	214	212	2.48

Atom	x (Å)	y (Å)
C1	0.000	0.257
C2	1.322	-0.095
C3	1.342	-1.545
C4	0.038	-1.974
O5	-0.840	-0.858
Cl6	-0.791	1.855
H7	2.169	0.581
H8	2.227	-2.172
H9	-0.446	-2.942

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3676	2.2466	2.2315	1.3960	1.7828	2.1926	3.2957	3.2299
C2	1.3676		1.4501	2.2756	2.2924	2.8744	1.0833	2.2661	3.3513
C3	2.2466	1.4501		1.3725	2.2876	4.0131	2.2804	1.0852	2.2692
C4	2.2315	2.2756	1.3725		1.4205	3.9178	3.3263	2.1981	1.0823
O5	1.3960	2.2924	2.2876	1.4205		2.7133	3.3349	3.3373	2.1210
Cl6	1.7828	2.8744	4.0131	3.9178	2.7133		3.2218	5.0323	4.8093
H7	2.1926	1.0833	2.2804	3.3263	3.3349	3.2218		2.7531	4.3869
H8	3.2957	2.2661	1.0852	2.1981	3.3373	5.0323	2.7531		2.7823
H9	3.2299	3.3513	2.2692	1.0823	2.1210	4.8093	4.3869	2.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.713	C1	C2	H7	126.525
C1	O5	C4	104.795	C2	C1	O5	112.094
C2	C1	Cl6	131.230	C2	C3	C4	107.425
C2	C3	H8	126.112	C3	C2	H7	127.762
C3	C4	O5	109.974	C3	C4	H9	134.822
C4	C3	H8	126.463	O5	C1	Cl6	116.676
O5	C4	H9	115.204

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

using model chemistry: PBEPBEultrafine/3-21G

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	-0.016
2	C	-0.228
3	C	-0.245
4	C	0.032
5	O	-0.410
6	Cl	0.197
7	H	0.220
8	H	0.212
9	H	0.240

	x	y	z	Total
	1.540	-1.461	0.000	2.123
CHELPG
AIM
ESP

	x	y	z
x	7.384	-1.398	0.000
y	-1.398	10.111	0.000
z	0.000	0.000	2.276

<r²>	188.350
(<r²>)^1/2	13.724

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

using model chemistry: PBEPBEultrafine/3-21G

States and conformations

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