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	hartrees
Energy at 0K	-55.170571
Energy at 298.15K	-55.174238
HF Energy	-55.170571
Nuclear repulsion energy	106.909022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3318	3214	0.28
2	A'	3293	3189	0.21
3	A'	3265	3162	2.94
4	A'	1581	1531	19.95
5	A'	1494	1447	59.62
6	A'	1379	1335	12.45
7	A'	1236	1197	8.95
8	A'	1169	1132	49.34
9	A'	1119	1084	17.25
10	A'	1043	1010	11.93
11	A'	1013	981	32.86
12	A'	894	866	27.82
13	A'	876	848	7.37
14	A'	460	445	5.39
15	A'	289	280	0.55
16	A"	923	893	0.04
17	A"	859	832	37.98
18	A"	753	729	105.29
19	A"	593	574	2.51
20	A"	591	572	4.05
21	A"	213	206	4.08

Atom	x (Å)	y (Å)
C1	0.000	0.267
C2	1.345	-0.088
C3	1.363	-1.551
C4	0.039	-1.979
O5	-0.826	-0.860
Cl6	-0.815	1.855
H7	2.191	0.589
H8	2.243	-2.187
H9	-0.454	-2.944

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3906	2.2720	2.2459	1.3968	1.7852	2.2148	3.3243	3.2422
C2	1.3906		1.4635	2.2981	2.3036	2.9050	1.0840	2.2831	3.3752
C3	2.2720	1.4635		1.3914	2.2950	4.0429	2.2951	1.0857	2.2893
C4	2.2459	2.2981	1.3914		1.4139	3.9279	3.3508	2.2141	1.0834
O5	1.3968	2.3036	2.2950	1.4139		2.7151	3.3469	3.3433	2.1163
Cl6	1.7852	2.9050	4.0429	3.9279	2.7151		3.2618	5.0683	4.8121
H7	2.2148	1.0840	2.2951	3.3508	3.3469	3.2618		2.7764	4.4136
H8	3.3243	2.2831	1.0857	2.2141	3.3433	5.0683	2.7764		2.8017
H9	3.2422	3.3752	2.2893	1.0834	2.1163	4.8121	4.4136	2.8017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.482	C1	C2	H7	126.577
C1	O5	C4	106.077	C2	C1	O5	111.462
C2	C1	Cl6	131.931	C2	C3	C4	107.191
C2	C3	H8	126.537	C3	C2	H7	127.941
C3	C4	O5	109.787	C3	C4	H9	134.983
C4	C3	H8	126.272	O5	C1	Cl6	116.607
O5	C4	H9	115.230

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

using model chemistry: B3LYP/CEP-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	-0.417
2	C	0.008
3	C	-0.260
4	C	-0.289
5	O	-0.060
6	Cl	0.061
7	H	0.340
8	H	0.318
9	H	0.300

	x	y	z	Total
	2.059	-1.540	0.000	2.571
CHELPG
AIM
ESP

	x	y	z
x	7.975	-1.515	0.000
y	-1.515	10.554	0.000
z	0.000	0.000	3.114

<r²>	125.799
(<r²>)^1/2	11.216

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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