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	hartrees
Energy at 0K	-689.518497
Energy at 298.15K	-689.522238
HF Energy	-689.518497
Nuclear repulsion energy	260.285636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3352	3225	0.22
2	A'	3319	3193	0.22
3	A'	3294	3169	2.60
4	A'	1614	1553	22.64
5	A'	1513	1455	52.89
6	A'	1401	1348	13.04
7	A'	1267	1219	7.71
8	A'	1182	1137	29.98
9	A'	1132	1089	26.19
10	A'	1053	1013	18.23
11	A'	1028	989	22.16
12	A'	915	880	28.86
13	A'	901	866	9.04
14	A'	464	447	5.69
15	A'	294	283	0.41
16	A"	916	881	0.40
17	A"	851	819	23.72
18	A"	752	723	63.90
19	A"	623	599	1.06
20	A"	610	587	8.17
21	A"	220	211	2.39

Atom	x (Å)	y (Å)
C1	0.000	0.263
C2	1.321	-0.070
C3	1.365	-1.513
C4	0.077	-1.961
O5	-0.800	-0.865
Cl6	-0.835	1.826
H7	2.155	0.611
H8	2.255	-2.123
H9	-0.394	-2.927

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3617	2.2399	2.2251	1.3829	1.7724	2.1833	3.2824	3.2141
C2	1.3617		1.4442	2.2638	2.2650	2.8704	1.0771	2.2556	3.3326
C3	2.2399	1.4442		1.3639	2.2599	3.9988	2.2664	1.0786	2.2571
C4	2.2251	2.2638	1.3639		1.4035	3.8955	3.3070	2.1840	1.0748
O5	1.3829	2.2650	2.2599	1.4035		2.6918	3.3036	3.3036	2.1014
Cl6	1.7724	2.8704	3.9988	3.8955	2.6918		3.2275	5.0139	4.7738
H7	2.1833	1.0771	2.2664	3.3070	3.3036	3.2275		2.7355	4.3611
H8	3.2824	2.2556	1.0786	2.1840	3.3036	5.0139	2.7355		2.7685
H9	3.2141	3.3326	2.2571	1.0748	2.1014	4.7738	4.3611	2.7685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.890	C1	C2	H7	126.681
C1	O5	C4	105.986	C2	C1	O5	111.222
C2	C1	Cl6	132.220	C2	C3	C4	107.410
C2	C3	H8	126.176	C3	C2	H7	127.428
C3	C4	O5	109.493	C3	C4	H9	135.168
C4	C3	H8	126.415	O5	C1	Cl6	116.559
O5	C4	H9	115.339

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

using model chemistry: B3LYP/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	-0.004
2	C	-0.142
3	C	-0.154
4	C	0.086
5	O	-0.461
6	Cl	0.171
7	H	0.167
8	H	0.157
9	H	0.180

	x	y	z	Total
	1.901	-1.467	0.000	2.402
CHELPG
AIM
ESP

	x	y	z
x	7.754	-1.398	0.000
y	-1.398	10.037	0.000
z	0.000	0.000	2.724

<r²>	186.545
(<r²>)^1/2	13.658

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

using model chemistry: B3LYP/6-31G

States and conformations

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