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	hartrees
Energy at 0K	-689.423420
Energy at 298.15K	-689.427270
HF Energy	-689.423420
Nuclear repulsion energy	261.680365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3382	3382	0.30
2	A'	3345	3345	0.52
3	A'	3315	3315	2.05
4	A'	1646	1646	26.42
5	A'	1548	1548	50.85
6	A'	1423	1423	13.31
7	A'	1281	1281	12.26
8	A'	1212	1212	46.90
9	A'	1161	1161	10.50
10	A'	1083	1083	12.73
11	A'	1046	1046	23.30
12	A'	937	937	33.61
13	A'	912	912	4.43
14	A'	483	483	4.53
15	A'	302	302	0.48
16	A"	950	950	0.73
17	A"	884	884	24.86
18	A"	777	777	75.72
19	A"	646	646	1.35
20	A"	621	621	9.94
21	A"	229	229	2.93

Atom	x (Å)	y (Å)
C1	0.000	0.262
C2	1.315	-0.074
C3	1.350	-1.515
C4	0.061	-1.949
O5	-0.799	-0.854
Cl6	-0.820	1.819
H7	2.151	0.604
H8	2.234	-2.132
H9	-0.415	-2.911

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3571	2.2322	2.2120	1.3728	1.7594	2.1778	3.2744	3.2005
C2	1.3571		1.4420	2.2555	2.2530	2.8529	1.0762	2.2540	3.3232
C3	2.2322	1.4420		1.3600	2.2483	3.9782	2.2654	1.0773	2.2505
C4	2.2120	2.2555	1.3600		1.3920	3.8694	3.2990	2.1800	1.0738
O5	1.3728	2.2530	2.2483	1.3920		2.6732	3.2903	3.2904	2.0924
Cl6	1.7594	2.8529	3.9782	3.8694	2.6732		3.2096	4.9934	4.7474
H7	2.1778	1.0762	2.2654	3.2990	3.2903	3.2096		2.7373	4.3521
H8	3.2744	2.2540	1.0773	2.1800	3.2904	4.9934	2.7373		2.7608
H9	3.2005	3.3232	2.2505	1.0738	2.0924	4.7474	4.3521	2.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.745	C1	C2	H7	126.632
C1	O5	C4	106.270	C2	C1	O5	111.240
C2	C1	Cl6	132.114	C2	C3	C4	107.183
C2	C3	H8	126.335	C3	C2	H7	127.623
C3	C4	O5	109.562	C3	C4	H9	134.923
C4	C3	H8	126.482	O5	C1	Cl6	116.646
O5	C4	H9	115.515

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

using model chemistry: wB97X-D/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	-0.018
2	C	-0.185
3	C	-0.206
4	C	0.065
5	O	-0.475
6	Cl	0.191
7	H	0.210
8	H	0.200
9	H	0.220

	x	y	z	Total
	1.938	-1.531	0.000	2.470
CHELPG
AIM
ESP

	x	y	z
x	7.641	-1.294	0.000
y	-1.294	9.702	0.000
z	0.000	0.000	2.723

<r²>	184.645
(<r²>)^1/2	13.588

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

using model chemistry: wB97X-D/6-31G

States and conformations

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