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	hartrees
Energy at 0K	-689.473547
Energy at 298.15K	-689.477326
HF Energy	-689.473547
Nuclear repulsion energy	265.415087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3322	3178	0.06
2	A'	3304	3161	0.27
3	A'	3282	3140	2.24
4	A'	1630	1559	21.10
5	A'	1535	1469	58.65
6	A'	1428	1366	14.42
7	A'	1263	1208	19.54
8	A'	1228	1175	42.50
9	A'	1167	1117	8.05
10	A'	1107	1059	13.70
11	A'	1040	995	22.17
12	A'	940	899	32.93
13	A'	895	857	1.25
14	A'	499	478	5.24
15	A'	316	302	0.43
16	A"	868	830	0.04
17	A"	802	767	26.29
18	A"	732	700	46.54
19	A"	630	603	6.40
20	A"	612	585	4.09
21	A"	226	216	1.53

Atom	x (Å)	y (Å)
C1	0.000	0.267
C2	1.310	-0.099
C3	1.298	-1.531
C4	-0.008	-1.906
O5	-0.819	-0.808
Cl6	-0.756	1.798
H7	2.163	0.562
H8	2.157	-2.189
H9	-0.518	-2.856

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3600	2.2176	2.1721	1.3511	1.7080	2.1835	3.2681	3.1654
C2	1.3600		1.4318	2.2355	2.2434	2.8052	1.0801	2.2544	3.3078
C3	2.2176	1.4318		1.3586	2.2370	3.9122	2.2653	1.0814	2.2485
C4	2.1721	2.2355	1.3586		1.3644	3.7784	3.2869	2.1829	1.0791
O5	1.3511	2.2434	2.2370	1.3644		2.6070	3.2819	3.2801	2.0697
Cl6	1.7080	2.8052	3.9122	3.7784	2.6070		3.1703	4.9376	4.6602
H7	2.1835	1.0801	2.2653	3.2869	3.2819	3.1703		2.7512	4.3449
H8	3.2681	2.2544	1.0814	2.1829	3.2801	4.9376	2.7512		2.7572
H9	3.1654	3.3078	2.2485	1.0791	2.0697	4.6602	4.3449	2.7572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.153	C1	C2	H7	126.593
C1	O5	C4	106.239	C2	C1	O5	111.680
C2	C1	Cl6	131.895	C2	C3	C4	106.451
C2	C3	H8	126.987	C3	C2	H7	128.254
C3	C4	O5	110.476	C3	C4	H9	134.240
C4	C3	H8	126.562	O5	C1	Cl6	116.426
O5	C4	H9	115.283

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

using model chemistry: B3PW91/6-31G*

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	0.129
2	C	-0.203
3	C	-0.213
4	C	0.055
5	O	-0.393
6	Cl	0.057
7	H	0.191
8	H	0.183
9	H	0.195

	x	y	z	Total
	1.254	-1.258	0.000	1.776
CHELPG
AIM
ESP

	x	y	z
x	7.881	-1.212	0.000
y	-1.212	10.145	0.000
z	0.000	0.000	3.276

<r²>	179.051
(<r²>)^1/2	13.381

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

using model chemistry: B3PW91/6-31G*

States and conformations

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