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	hartrees
Energy at 0K	-55.198271
Energy at 298.15K	-55.202066
HF Energy	-55.198271
Nuclear repulsion energy	107.922986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3311	1.32
2	A'	3289	3289	0.60
3	A'	3269	3269	3.94
4	A'	1607	1607	25.97
5	A'	1519	1519	68.27
6	A'	1404	1404	11.13
7	A'	1254	1254	19.03
8	A'	1207	1207	59.46
9	A'	1149	1149	5.35
10	A'	1074	1074	10.28
11	A'	1031	1031	31.65
12	A'	921	921	28.42
13	A'	898	898	4.63
14	A'	482	482	3.60
15	A'	294	294	0.50
16	A"	923	923	0.26
17	A"	859	859	22.88
18	A"	772	772	94.51
19	A"	613	613	3.14
20	A"	601	601	4.88
21	A"	214	214	3.23

Atom	x (Å)	y (Å)
C1	0.000	0.265
C2	1.328	-0.078
C3	1.356	-1.532
C4	0.052	-1.961
O5	-0.812	-0.857
Cl6	-0.817	1.834
H7	2.167	0.601
H8	2.236	-2.158
H9	-0.430	-2.924

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3713	2.2513	2.2269	1.3849	1.7684	2.1927	3.2972	3.2182
C2	1.3713		1.4549	2.2752	2.2769	2.8727	1.0790	2.2702	3.3456
C3	2.2513	1.4549		1.3728	2.2699	4.0061	2.2820	1.0800	2.2642
C4	2.2269	2.2752	1.3728		1.4015	3.8928	3.3223	2.1929	1.0768
O5	1.3849	2.2769	2.2699	1.4015		2.6906	3.3161	3.3134	2.1019
Cl6	1.7684	2.8727	4.0061	3.8928	2.6906		3.2286	5.0253	4.7733
H7	2.1927	1.0790	2.2820	3.3223	3.3161	3.2286		2.7598	4.3783
H8	3.2972	2.2702	1.0800	2.1929	3.3134	5.0253	2.7598		2.7737
H9	3.2182	3.3456	2.2642	1.0768	2.1019	4.7733	4.3783	2.7737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.573	C1	C2	H7	126.575
C1	O5	C4	106.109	C2	C1	O5	111.397
C2	C1	Cl6	131.994	C2	C3	C4	107.111
C2	C3	H8	126.527	C3	C2	H7	127.851
C3	C4	O5	109.810	C3	C4	H9	134.793
C4	C3	H8	126.362	O5	C1	Cl6	116.609
O5	C4	H9	115.397

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

using model chemistry: wB97X-D/CEP-121G

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	-0.258
2	C	-0.128
3	C	-0.121
4	C	-0.182
5	O	-0.139
6	Cl	0.173
7	H	0.228
8	H	0.212
9	H	0.215

	x	y	z	Total
	1.942	-1.523	0.000	2.468
CHELPG
AIM
ESP

	x	y	z
x	8.202	-1.287	0.000
y	-1.287	10.303	0.000
z	0.000	0.000	3.781

<r²>	123.912
(<r²>)^1/2	11.132

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

using model chemistry: wB97X-D/CEP-121G

States and conformations

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