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	hartrees
Energy at 0K	-689.308429
Energy at 298.15K	-689.312180
HF Energy	-689.019034
Nuclear repulsion energy	265.036316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3314	3314	0.24
2	A'	3292	3292	0.15
3	A'	3273	3273	2.79
4	A'	1604	1604	20.81
5	A'	1517	1517	58.35
6	A'	1414	1414	16.52
7	A'	1256	1256	9.11
8	A'	1209	1209	59.02
9	A'	1153	1153	8.40
10	A'	1091	1091	17.77
11	A'	1036	1036	23.34
12	A'	937	937	29.71
13	A'	901	901	1.84
14	A'	495	495	4.99
15	A'	314	314	0.53
16	A"	835	835	0.52
17	A"	782	782	30.66
18	A"	723	723	55.96
19	A"	623	623	10.08
20	A"	601	601	2.16
21	A"	219	219	2.27

Atom	x (Å)	y (Å)
C1	0.000	0.266
C2	1.309	-0.104
C3	1.295	-1.538
C4	-0.013	-1.910
O5	-0.825	-0.808
Cl6	-0.749	1.805
H7	2.161	0.556
H8	2.149	-2.197
H9	-0.526	-2.856

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3600	2.2204	2.1757	1.3535	1.7117	2.1802	3.2682	3.1657
C2	1.3600		1.4344	2.2380	2.2466	2.8066	1.0775	2.2552	3.3076
C3	2.2204	1.4344		1.3592	2.2417	3.9181	2.2661	1.0786	2.2472
C4	2.1757	2.2380	1.3592		1.3692	3.7870	3.2870	2.1804	1.0762
O5	1.3535	2.2466	2.2417	1.3692		2.6135	3.2821	3.2820	2.0703
Cl6	1.7117	2.8066	3.9181	3.7870	2.6135		3.1665	4.9406	4.6663
H7	2.1802	1.0775	2.2661	3.2870	3.2821	3.1665		2.7526	4.3425
H8	3.2682	2.2552	1.0786	2.1804	3.2820	4.9406	2.7526		2.7544
H9	3.1657	3.3076	2.2472	1.0762	2.0703	4.6663	4.3425	2.7544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.197	C1	C2	H7	126.489
C1	O5	C4	106.089	C2	C1	O5	111.775
C2	C1	Cl6	131.710	C2	C3	C4	106.442
C2	C3	H8	127.069	C3	C2	H7	128.313
C3	C4	O5	110.497	C3	C4	H9	134.331
C4	C3	H8	126.489	O5	C1	Cl6	116.515
O5	C4	H9	115.172

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

using model chemistry: B2PLYP/6-311G*

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	0.111
2	C	-0.218
3	C	-0.260
4	C	-0.049
5	O	-0.218
6	Cl	-0.044
7	H	0.229
8	H	0.217
9	H	0.231

	x	y	z	Total
	1.297	-1.279	0.000	1.821
CHELPG
AIM
ESP

	x	y	z
x	8.041	-1.305	0.000
y	-1.305	10.485	0.000
z	0.000	0.000	3.679

<r²>	180.189
(<r²>)^1/2	13.423

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

using model chemistry: B2PLYP/6-311G*

States and conformations

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