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	hartrees
Energy at 0K	-689.555548
Energy at 298.15K	-689.559372
HF Energy	-689.555548
Nuclear repulsion energy	265.859368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3297	3176	0.07
2	A'	3280	3159	0.60
3	A'	3259	3139	1.87
4	A'	1613	1553	23.83
5	A'	1521	1465	62.35
6	A'	1411	1359	16.92
7	A'	1244	1198	13.57
8	A'	1213	1169	52.75
9	A'	1156	1113	7.65
10	A'	1093	1053	16.92
11	A'	1030	992	25.28
12	A'	940	905	30.81
13	A'	899	866	1.18
14	A'	498	480	5.74
15	A'	316	305	0.58
16	A"	880	847	0.01
17	A"	809	779	21.31
18	A"	740	713	63.68
19	A"	635	612	4.25
20	A"	614	591	6.42
21	A"	225	216	2.41

Atom	x (Å)	y (Å)
C1	0.000	0.265
C2	1.306	-0.103
C3	1.290	-1.533
C4	-0.014	-1.903
O5	-0.820	-0.805
Cl6	-0.748	1.798
H7	2.159	0.556
H8	2.145	-2.193
H9	-0.523	-2.852

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3567	2.2132	2.1682	1.3476	1.7062	2.1782	3.2617	3.1605
C2	1.3567		1.4307	2.2324	2.2389	2.7986	1.0777	2.2520	3.3023
C3	2.2132	1.4307		1.3555	2.2328	3.9057	2.2629	1.0790	2.2426
C4	2.1682	2.2324	1.3555		1.3631	3.7738	3.2816	2.1774	1.0770
O5	1.3476	2.2389	2.2328	1.3631		2.6038	3.2749	3.2736	2.0688
Cl6	1.7062	2.7986	3.9057	3.7738	2.6038		3.1608	4.9290	4.6557
H7	2.1782	1.0777	2.2629	3.2816	3.2749	3.1608		2.7491	4.3371
H8	3.2617	2.2520	1.0790	2.1774	3.2736	4.9290	2.7491		2.7482
H9	3.1605	3.3023	2.2426	1.0770	2.0688	4.6557	4.3371	2.7482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.096	C1	C2	H7	126.579
C1	O5	C4	106.234	C2	C1	O5	111.769
C2	C1	Cl6	131.720	C2	C3	C4	106.466
C2	C3	H8	127.048	C3	C2	H7	128.325
C3	C4	O5	110.436	C3	C4	H9	134.102
C4	C3	H8	126.486	O5	C1	Cl6	116.511
O5	C4	H9	115.462

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

using model chemistry: B3PW91/6-311G**

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	0.093
2	C	-0.103
3	C	-0.171
4	C	0.061
5	O	-0.217
6	Cl	-0.037
7	H	0.125
8	H	0.119
9	H	0.130

	x	y	z	Total
	1.264	-1.233	0.000	1.766
CHELPG
AIM
ESP

	x	y	z
x	8.121	-1.322	0.000
y	-1.322	10.630	0.000
z	0.000	0.000	3.786

<r²>	178.972
(<r²>)^1/2	13.378

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

using model chemistry: B3PW91/6-311G**

States and conformations

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