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	hartrees
Energy at 0K	-689.612055
Energy at 298.15K	-689.615806
HF Energy	-689.612055
Nuclear repulsion energy	264.520920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3172	0.12
2	A'	3291	3153	0.24
3	A'	3270	3133	2.76
4	A'	1621	1553	19.11
5	A'	1522	1458	57.87
6	A'	1420	1360	15.08
7	A'	1259	1206	9.18
8	A'	1212	1161	46.24
9	A'	1151	1103	10.96
10	A'	1096	1050	17.54
11	A'	1036	992	20.53
12	A'	936	897	32.95
13	A'	897	859	1.66
14	A'	491	470	5.62
15	A'	313	300	0.37
16	A"	866	829	0.05
17	A"	802	768	24.40
18	A"	728	698	40.01
19	A"	624	598	5.94
20	A"	610	585	3.78
21	A"	223	213	1.30

Atom	x (Å)	y (Å)
C1	0.000	0.266
C2	1.312	-0.094
C3	1.310	-1.530
C4	0.005	-1.914
O5	-0.816	-0.817
Cl6	-0.769	1.803
H7	2.162	0.572
H8	2.172	-2.181
H9	-0.499	-2.868

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3608	2.2225	2.1801	1.3561	1.7185	2.1839	3.2721	3.1730
C2	1.3608		1.4356	2.2406	2.2478	2.8160	1.0798	2.2571	3.3126
C3	2.2225	1.4356		1.3595	2.2419	3.9275	2.2679	1.0811	2.2497
C4	2.1801	2.2406	1.3595		1.3707	3.7968	3.2911	2.1833	1.0787
O5	1.3561	2.2478	2.2419	1.3707		2.6203	3.2864	3.2851	2.0747
Cl6	1.7185	2.8160	3.9275	3.7968	2.6203		3.1794	4.9519	4.6781
H7	2.1839	1.0798	2.2679	3.2911	3.2864	3.1794		2.7525	4.3488
H8	3.2721	2.2571	1.0811	2.1833	3.2851	4.9519	2.7525		2.7586
H9	3.1730	3.3126	2.2497	1.0787	2.0747	4.6781	4.3488	2.7586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.231	C1	C2	H7	126.594
C1	O5	C4	106.172	C2	C1	O5	111.657
C2	C1	Cl6	131.920	C2	C3	C4	106.538
C2	C3	H8	126.927	C3	C2	H7	128.175
C3	C4	O5	110.402	C3	C4	H9	134.329
C4	C3	H8	126.535	O5	C1	Cl6	116.423
O5	C4	H9	115.269

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

using model chemistry: B3LYPultrafine/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	0.149
2	C	-0.169
3	C	-0.171
4	C	0.076
5	O	-0.395
6	Cl	0.036
7	H	0.159
8	H	0.151
9	H	0.165

	x	y	z	Total
	1.283	-1.264	0.000	1.801
CHELPG
AIM
ESP

	x	y	z
x	7.916	-1.235	0.000
y	-1.235	10.184	0.000
z	0.000	0.000	3.254

<r²>	180.354
(<r²>)^1/2	13.430

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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