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	hartrees
Energy at 0K	-689.500057
Energy at 298.15K	-689.503867
HF Energy	-689.500057
Nuclear repulsion energy	265.752452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3314	3155	0.47
2	A'	3304	3146	1.97
3	A'	3290	3133	1.98
4	A'	1644	1565	20.38
5	A'	1548	1474	72.63
6	A'	1427	1359	17.68
7	A'	1273	1212	49.69
8	A'	1232	1174	19.39
9	A'	1169	1113	12.05
10	A'	1113	1060	13.59
11	A'	1033	984	24.93
12	A'	946	901	33.51
13	A'	899	856	1.10
14	A'	498	475	5.78
15	A'	310	295	0.59
16	A"	904	861	0.02
17	A"	829	790	22.35
18	A"	756	720	69.71
19	A"	637	606	4.72
20	A"	610	581	6.93
21	A"	213	203	2.30

Atom	x (Å)	y (Å)
C1	0.000	0.266
C2	1.309	-0.090
C3	1.304	-1.526
C4	0.001	-1.904
O5	-0.810	-0.810
Cl6	-0.765	1.792
H7	2.155	0.579
H8	2.162	-2.181
H9	-0.503	-2.857

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3566	2.2163	2.1706	1.3467	1.7067	2.1773	3.2654	3.1638
C2	1.3566		1.4356	2.2365	2.2374	2.8010	1.0786	2.2579	3.3074
C3	2.2163	1.4356		1.3569	2.2316	3.9101	2.2704	1.0795	2.2444
C4	2.1706	2.2365	1.3569		1.3620	3.7746	3.2873	2.1788	1.0779
O5	1.3467	2.2374	2.2316	1.3620		2.6018	3.2736	3.2728	2.0703
Cl6	1.7067	2.8010	3.9101	3.7746	2.6018		3.1622	4.9348	4.6563
H7	2.1773	1.0786	2.2704	3.2873	3.2736	3.1622		2.7598	4.3442
H8	3.2654	2.2579	1.0795	2.1788	3.2728	4.9348	2.7598		2.7496
H9	3.1638	3.3074	2.2444	1.0779	2.0703	4.6563	4.3442	2.7496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.039	C1	C2	H7	126.406
C1	O5	C4	106.519	C2	C1	O5	111.721
C2	C1	Cl6	131.894	C2	C3	C4	106.394
C2	C3	H8	127.147	C3	C2	H7	128.555
C3	C4	O5	110.327	C3	C4	H9	134.064
C4	C3	H8	126.458	O5	C1	Cl6	116.386
O5	C4	H9	115.610

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

using model chemistry: M06-2X/6-31+G**

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	-0.295
2	C	0.049
3	C	-0.189
4	C	-0.036
5	O	-0.194
6	Cl	0.125
7	H	0.184
8	H	0.177
9	H	0.179

	x	y	z	Total
	1.321	-1.228	0.000	1.804
CHELPG
AIM
ESP

	x	y	z
x	8.937	-1.143	-0.000
y	-1.143	10.867	-0.000
z	-0.000	-0.000	5.272

<r²>	179.375
(<r²>)^1/2	13.393

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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