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	hartrees
Energy at 0K	-687.303741
Energy at 298.15K	-687.307448
HF Energy	-687.303741
Nuclear repulsion energy	266.874721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3162	0.47
2	A'	3197	3145	1.36
3	A'	3179	3128	1.09
4	A'	1585	1559	27.82
5	A'	1501	1477	56.91
6	A'	1391	1368	12.99
7	A'	1225	1205	57.44
8	A'	1205	1185	16.44
9	A'	1155	1136	5.99
10	A'	1073	1056	9.30
11	A'	1004	988	27.80
12	A'	925	910	28.02
13	A'	884	869	0.72
14	A'	499	491	5.04
15	A'	310	305	0.65
16	A"	824	811
17	A"	754	741	28.73
18	A"	695	683	59.04
19	A"	628	618	10.04
20	A"	606	596	6.34
21	A"	217	213	2.63

Atom	x (Å)	y (Å)
C1	0.000	0.267
C2	1.302	-0.117
C3	1.272	-1.536
C4	-0.036	-1.893
O5	-0.825	-0.792
Cl6	-0.727	1.795
H7	2.169	0.540
H8	2.127	-2.210
H9	-0.564	-2.843

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3572	2.2064	2.1602	1.3423	1.6924	2.1861	3.2648	3.1606
C2	1.3572		1.4196	2.2238	2.2315	2.7878	1.0877	2.2500	3.3036
C3	2.2064	1.4196		1.3558	2.2250	3.8849	2.2616	1.0887	2.2536
C4	2.1602	2.2238	1.3558		1.3545	3.7524	3.2836	2.1861	1.0868
O5	1.3423	2.2315	2.2250	1.3545		2.5891	3.2769	3.2748	2.0674
Cl6	1.6924	2.7878	3.8849	3.7524	2.5891		3.1562	4.9180	4.6410
H7	2.1861	1.0877	2.2616	3.2836	3.2769	3.1562		2.7504	4.3490
H8	3.2648	2.2500	1.0887	2.1861	3.2748	4.9180	2.7504		2.7644
H9	3.1606	3.3036	2.2536	1.0868	2.0674	4.6410	4.3490	2.7644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.209	C1	C2	H7	126.437
C1	O5	C4	106.454	C2	C1	O5	111.503
C2	C1	Cl6	131.856	C2	C3	C4	106.477
C2	C3	H8	127.040	C3	C2	H7	128.354
C3	C4	O5	110.356	C3	C4	H9	134.337
C4	C3	H8	126.482	O5	C1	Cl6	116.640
O5	C4	H9	115.307

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

using model chemistry: LSDA/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	0.035
2	C	-0.222
3	C	-0.276
4	C	-0.089
5	O	-0.167
6	Cl	-0.000
7	H	0.243
8	H	0.231
9	H	0.246

	x	y	z	Total
	1.167	-1.164	0.000	1.648
CHELPG
AIM
ESP

	x	y	z
x	8.146	-1.352	0.000
y	-1.352	10.965	0.000
z	0.000	0.000	3.769

<r²>	177.802
(<r²>)^1/2	13.334

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

using model chemistry: LSDA/6-311G*

States and conformations

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