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	hartrees
Energy at 0K	-687.520946
Energy at 298.15K	-687.525067
HF Energy	-687.520946
Nuclear repulsion energy	267.527179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3493	3138	0.79
2	A'	3465	3113	0.37
3	A'	3445	3095	3.99
4	A'	1783	1602	30.12
5	A'	1679	1508	78.44
6	A'	1542	1385	15.80
7	A'	1373	1233	19.08
8	A'	1318	1185	41.80
9	A'	1239	1113	14.24
10	A'	1191	1070	31.53
11	A'	1101	989	19.09
12	A'	1021	918	40.43
13	A'	970	871	2.33
14	A'	532	478	4.93
15	A'	339	305	0.47
16	A"	1007	905	0.20
17	A"	933	838	17.62
18	A"	853	766	61.27
19	A"	705	633	5.37
20	A"	657	591	10.27
21	A"	252	227	2.36

Atom	x (Å)	y (Å)
C1	0.000	0.259
C2	1.294	-0.076
C3	1.301	-1.518
C4	0.017	-1.893
O5	-0.793	-0.812
Cl6	-0.773	1.781
H7	2.129	0.591
H8	2.156	-2.161
H9	-0.474	-2.841

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3368	2.2023	2.1520	1.3331	1.7062	2.1550	3.2411	3.1358
C2	1.3368		1.4415	2.2203	2.2133	2.7783	1.0689	2.2557	3.2810
C3	2.2023	1.4415		1.3374	2.2099	3.8959	2.2655	1.0700	2.2130
C4	2.1520	2.2203	1.3374		1.3506	3.7571	3.2602	2.1558	1.0673
O5	1.3331	2.2133	2.2099	1.3506		2.5927	3.2419	3.2431	2.0536
Cl6	1.7062	2.7783	3.8959	3.7571	2.5927		3.1364	4.9103	4.6308
H7	2.1550	1.0689	2.2655	3.2602	3.2419	3.1364		2.7516	4.3067
H8	3.2411	2.2557	1.0700	2.1558	3.2431	4.9103	2.7516		2.7158
H9	3.1358	3.2810	2.2130	1.0673	2.0536	4.6308	4.3067	2.7158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.807	C1	C2	H7	126.852
C1	O5	C4	106.614	C2	C1	O5	111.982
C2	C1	Cl6	131.464	C2	C3	C4	106.007
C2	C3	H8	127.206	C3	C2	H7	128.341
C3	C4	O5	110.591	C3	C4	H9	133.622
C4	C3	H8	126.787	O5	C1	Cl6	116.554
O5	C4	H9	115.788

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

using model chemistry: HF/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	0.205
2	C	-0.256
3	C	-0.266
4	C	0.106
5	O	-0.525
6	Cl	0.051
7	H	0.233
8	H	0.224
9	H	0.230

	x	y	z	Total
	1.529	-1.436	0.000	2.098
CHELPG
AIM
ESP

	x	y	z
x	7.738	-1.088	0.000
y	-1.088	9.128	0.000
z	0.000	0.000	3.201

<r²>	177.380
(<r²>)^1/2	13.318

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

using model chemistry: HF/6-31G*

States and conformations

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