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	hartrees
Energy at 0K	-687.641480
Energy at 298.15K	-687.645622
HF Energy	-687.641480
Nuclear repulsion energy	268.232947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3442	3120	0.14
2	A'	3423	3102	0.57
3	A'	3403	3084	3.39
4	A'	1756	1591	28.93
5	A'	1658	1503	85.39
6	A'	1525	1382	18.03
7	A'	1356	1230	12.90
8	A'	1299	1178	44.13
9	A'	1227	1112	13.21
10	A'	1178	1067	30.31
11	A'	1085	984	21.44
12	A'	1016	921	34.28
13	A'	969	878	2.79
14	A'	529	480	5.23
15	A'	339	307	0.57
16	A"	1010	915	0.40
17	A"	933	846	15.05
18	A"	850	771	77.50
19	A"	713	646	3.14
20	A"	657	595	9.56
21	A"	253	230	2.78

Atom	x (Å)	y (Å)
C1	0.000	0.241
C2	1.230	-0.268
C3	1.050	-1.683
C4	-0.265	-1.913
O5	-0.961	-0.714
Cl6	-0.447	1.905
H7	2.124	0.321
H8	1.846	-2.401
H9	-0.772	-2.854

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3309	2.1920	2.1698	1.3544	1.7233	2.1256	3.2230	3.1897
C2	1.3309		1.4261	2.2219	2.2352	2.7451	1.0710	2.2200	3.2698
C3	2.1920	1.4261		1.3348	2.2325	3.8882	2.2734	1.0717	2.1658
C4	2.1698	2.2219	1.3348		1.3864	3.8222	3.2702	2.1665	1.0692
O5	1.3544	2.2352	2.2325	1.3864		2.6687	3.2537	3.2749	2.1487
Cl6	1.7233	2.7451	3.8882	3.8222	2.6687		3.0203	4.8787	4.7702
H7	2.1256	1.0710	2.2734	3.2702	3.2537	3.0203		2.7359	4.2971
H8	3.2230	2.2200	1.0717	2.1665	3.2749	4.8787	2.7359		2.6567
H9	3.1897	3.2698	2.1658	1.0692	2.1487	4.7702	4.2971	2.6567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.272	C1	C2	H7	124.140
C1	O5	C4	104.677	C2	C1	O5	112.690
C2	C1	Cl6	127.537	C2	C3	C4	107.128
C2	C3	H8	124.831	C3	C2	H7	130.588
C3	C4	O5	110.234	C3	C4	H9	128.215
C4	C3	H8	128.041	O5	C1	Cl6	119.773
O5	C4	H9	121.551

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

using model chemistry: HF/Def2TZVPP

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	0.207
2	C	-0.134
3	C	-0.150
4	C	0.111
5	O	-0.329
6	Cl	-0.042
7	H	0.110
8	H	0.107
9	H	0.121

	x	y	z	Total
	1.334	-1.268	0.000	1.841
CHELPG
AIM
ESP

	x	y	z
x	8.699	-1.066	0.000
y	-1.066	10.269	0.000
z	0.000	0.000	5.273

<r²>	176.764
(<r²>)^1/2	13.295

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

using model chemistry: HF/Def2TZVPP

States and conformations

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