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	hartrees
Energy at 0K	-689.579085
Energy at 298.15K	-689.582929
HF Energy	-689.579085
Nuclear repulsion energy	266.158839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	3298	1.22
2	A'	3290	3290	1.92
3	A'	3273	3273	1.66
4	A'	1639	1639	24.70
5	A'	1544	1544	65.34
6	A'	1420	1420	20.05
7	A'	1261	1261	40.65
8	A'	1228	1228	26.76
9	A'	1166	1166	12.75
10	A'	1108	1108	17.21
11	A'	1030	1030	25.28
12	A'	949	949	33.77
13	A'	904	904	0.76
14	A'	497	497	5.85
15	A'	309	309	0.58
16	A"	907	907	0.01
17	A"	833	833	19.88
18	A"	764	764	66.78
19	A"	646	646	3.87
20	A"	616	616	8.03
21	A"	216	216	2.53

Atom	x (Å)	y (Å)
C1	0.000	0.263
C2	1.305	-0.094
C3	1.296	-1.529
C4	-0.004	-1.901
O5	-0.812	-0.807
Cl6	-0.757	1.793
H7	2.150	0.573
H8	2.151	-2.184
H9	-0.509	-2.851

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3525	2.2110	2.1637	1.3436	1.7074	2.1721	3.2579	3.1553
C2	1.3525		1.4348	2.2314	2.2342	2.7949	1.0763	2.2553	3.3002
C3	2.2110	1.4348		1.3526	2.2285	3.9050	2.2680	1.0773	2.2375
C4	2.1637	2.2314	1.3526		1.3598	3.7700	3.2801	2.1736	1.0758
O5	1.3436	2.2342	2.2285	1.3598		2.6011	3.2680	3.2675	2.0664
Cl6	1.7074	2.7949	3.9050	3.7700	2.6011		3.1528	4.9271	4.6510
H7	2.1721	1.0763	2.2680	3.2801	3.2680	3.1528		2.7571	4.3348
H8	3.2579	2.2553	1.0773	2.1736	3.2675	4.9271	2.7571		2.7416
H9	3.1553	3.3002	2.2375	1.0758	2.0664	4.6510	4.3348	2.7416

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.942	C1	C2	H7	126.460
C1	O5	C4	106.327	C2	C1	O5	111.922
C2	C1	Cl6	131.607	C2	C3	C4	106.323
C2	C3	H8	127.162	C3	C2	H7	128.598
C3	C4	O5	110.485	C3	C4	H9	133.931
C4	C3	H8	126.515	O5	C1	Cl6	116.470
O5	C4	H9	115.584

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

using model chemistry: M06-2X/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	0.076
2	C	-0.122
3	C	-0.191
4	C	0.056
5	O	-0.241
6	Cl	-0.017
7	H	0.150
8	H	0.141
9	H	0.147

	x	y	z	Total
	1.324	-1.299	0.000	1.855
CHELPG
AIM
ESP

	x	y	z
x	8.087	-1.323	0.000
y	-1.323	10.397	0.000
z	0.000	0.000	3.777

<r²>	178.859
(<r²>)^1/2	13.374

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

using model chemistry: M06-2X/6-311G**

States and conformations

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