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	hartrees
Energy at 0K	-686.132958
Energy at 298.15K	-686.136842
HF Energy	-686.132958
Nuclear repulsion energy	263.342311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3351	3174	1.75
2	A'	3338	3162	2.38
3	A'	3324	3148	1.81
4	A'	1623	1537	30.79
5	A'	1520	1440	46.73
6	A'	1402	1328	16.35
7	A'	1278	1210	8.70
8	A'	1197	1134	32.27
9	A'	1154	1093	15.01
10	A'	1080	1023	13.45
11	A'	1038	983	11.57
12	A'	934	885	19.61
13	A'	918	869	17.49
14	A'	497	471	4.73
15	A'	297	281	0.56
16	A"	973	922	0.76
17	A"	917	869	23.09
18	A"	806	764	78.58
19	A"	662	627	1.37
20	A"	625	592	10.50
21	A"	231	219	3.40

Atom	x (Å)	y (Å)
C1	0.000	0.283
C2	1.295	-0.122
C3	1.265	-1.570
C4	-0.042	-1.941
O5	-0.859	-0.805
Cl6	-0.704	1.832
H7	2.161	0.515
H8	2.118	-2.225
H9	-0.556	-2.883

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3571	2.2430	2.2243	1.3857	1.7015	2.1735	3.2822	3.2139
C2	1.3571		1.4481	2.2576	2.2597	2.7954	1.0751	2.2577	3.3238
C3	2.2430	1.4481		1.3581	2.2569	3.9301	2.2697	1.0757	2.2444
C4	2.2243	2.2576	1.3581		1.3995	3.8307	3.2995	2.1783	1.0728
O5	1.3857	2.2597	2.2569	1.3995		2.6413	3.2957	3.2980	2.0999
Cl6	1.7015	2.7954	3.9301	3.8307	2.6413		3.1528	4.9414	4.7170
H7	2.1735	1.0751	2.2697	3.2995	3.2957	3.1528		2.7403	4.3507
H8	3.2822	2.2577	1.0757	2.1783	3.2980	4.9414	2.7403		2.7536
H9	3.2139	3.3238	2.2444	1.0728	2.0999	4.7170	4.3507	2.7536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	106.140	C1	C2	H7	126.275
C1	O5	C4	105.991	C2	C1	O5	110.937
C2	C1	Cl6	131.788	C2	C3	C4	107.084
C2	C3	H8	126.276	C3	C2	H7	127.585
C3	C4	O5	109.848	C3	C4	H9	134.496
C4	C3	H8	126.640	O5	C1	Cl6	117.276
O5	C4	H9	115.657

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

using model chemistry: M06-2X/3-21G*

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	0.126
2	C	-0.249
3	C	-0.271
4	C	0.070
5	O	-0.502
6	Cl	0.111
7	H	0.236
8	H	0.228
9	H	0.253

	x	y	z	Total
	1.510	-1.252	0.000	1.962
CHELPG
AIM
ESP

	x	y	z
x	7.284	-1.128	0.000
y	-1.128	9.552	0.000
z	0.000	0.000	2.484

<r²>	181.781
(<r²>)^1/2	13.483

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

using model chemistry: M06-2X/3-21G*

States and conformations

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