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	hartrees
Energy at 0K	-55.258922
Energy at 298.15K	-55.262615
HF Energy	-55.258922
Nuclear repulsion energy	108.476035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3171	0.18
2	A'	3268	3156	0.32
3	A'	3242	3131	2.00
4	A'	1599	1544	18.93
5	A'	1514	1462	63.20
6	A'	1399	1351	14.24
7	A'	1228	1186	6.82
8	A'	1199	1158	58.99
9	A'	1139	1100	7.46
10	A'	1075	1038	13.45
11	A'	1016	981	30.11
12	A'	914	882	32.67
13	A'	872	842	1.49
14	A'	483	466	6.27
15	A'	304	294	0.53
16	A"	888	857	0.05
17	A"	828	799	46.66
18	A"	729	704	81.00
19	A"	604	583	4.86
20	A"	590	569	2.22
21	A"	219	211	2.74

Atom	x (Å)	y (Å)
C1	0.000	0.268
C2	1.334	-0.111
C3	1.309	-1.565
C4	-0.027	-1.933
O5	-0.835	-0.812
Cl6	-0.754	1.830
H7	2.195	0.553
H8	2.165	-2.237
H9	-0.553	-2.884

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3864	2.2524	2.2011	1.3658	1.7339	2.2130	3.3113	3.2005
C2	1.3864		1.4542	2.2735	2.2793	2.8502	1.0871	2.2832	3.3540
C3	2.2524	1.4542		1.3850	2.2722	3.9721	2.2953	1.0887	2.2816
C4	2.2011	2.2735	1.3850		1.3818	3.8320	3.3332	2.2125	1.0873
O5	1.3658	2.2793	2.2722	1.3818		2.6432	3.3231	3.3214	2.0910
Cl6	1.7339	2.8502	3.9721	3.8320	2.6432		3.2134	5.0061	4.7181
H7	2.2130	1.0871	2.2953	3.3332	3.3231	3.2134		2.7900	4.4000
H8	3.3113	2.2832	1.0887	2.2125	3.3214	5.0061	2.7900		2.7937
H9	3.2005	3.3540	2.2816	1.0873	2.0910	4.7181	4.4000	2.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.896	C1	C2	H7	126.518
C1	O5	C4	106.475	C2	C1	O5	111.830
C2	C1	Cl6	131.651	C2	C3	C4	106.377
C2	C3	H8	127.168	C3	C2	H7	128.586
C3	C4	O5	110.421	C3	C4	H9	134.351
C4	C3	H8	126.454	O5	C1	Cl6	116.519
O5	C4	H9	115.228

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

using model chemistry: B3LYP/CEP-31G*

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	-0.281
2	C	-0.059
3	C	-0.274
4	C	-0.338
5	O	0.024
6	Cl	-0.057
7	H	0.353
8	H	0.330
9	H	0.303

	x	y	z	Total
	1.361	-1.289	0.000	1.874
CHELPG
AIM
ESP

	x	y	z
x	8.303	-1.331	0.000
y	-1.331	10.796	0.000
z	0.000	0.000	3.826

<r²>	122.018
(<r²>)^1/2	11.046

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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