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	hartrees
Energy at 0K	-244.313890
Energy at 298.15K	-244.317588
HF Energy	-244.313890
Nuclear repulsion energy	194.965966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3343	3213	0.22
2	A'	3313	3185	0.42
3	A'	3291	3163	2.73
4	A'	1591	1529	22.19
5	A'	1499	1441	59.84
6	A'	1383	1329	11.40
7	A'	1246	1197	13.55
8	A'	1174	1129	45.50
9	A'	1124	1081	16.08
10	A'	1048	1008	11.63
11	A'	1017	977	33.23
12	A'	905	870	26.94
13	A'	892	857	8.17
14	A'	461	443	5.73
15	A'	294	282	0.40
16	A"	917	881	0.02
17	A"	848	815	33.07
18	A"	752	722	97.53
19	A"	617	593	0.34
20	A"	604	581	8.83
21	A"	214	206	3.70

Atom	x (Å)	y (Å)
C1	0.000	0.266
C2	1.326	-0.083
C3	1.353	-1.534
C4	0.048	-1.965
O5	-0.817	-0.856
Cl6	-0.811	1.838
H7	2.169	0.590
H8	2.233	-2.159
H9	-0.434	-2.929

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3716	2.2520	2.2324	1.3883	1.7684	2.1933	3.2971	3.2250
C2	1.3716		1.4515	2.2758	2.2785	2.8738	1.0787	2.2658	3.3468
C3	2.2520	1.4515		1.3744	2.2729	4.0065	2.2760	1.0800	2.2668
C4	2.2324	2.2758	1.3744		1.4063	3.8989	3.3217	2.1941	1.0775
O5	1.3883	2.2785	2.2729	1.4063		2.6939	3.3180	3.3167	2.1081
Cl6	1.7684	2.8738	4.0065	3.8989	2.6939		3.2311	5.0245	4.7819
H7	2.1933	1.0787	2.2760	3.3217	3.3180	3.2311		2.7504	4.3778
H8	3.2971	2.2658	1.0800	2.1941	3.3167	5.0245	2.7504		2.7761
H9	3.2250	3.3468	2.2668	1.0775	2.1081	4.7819	4.3778	2.7761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.787	C1	C2	H7	126.629
C1	O5	C4	106.029	C2	C1	O5	111.287
C2	C1	Cl6	132.063	C2	C3	C4	107.257
C2	C3	H8	126.408	C3	C2	H7	127.584
C3	C4	O5	109.640	C3	C4	H9	134.844
C4	C3	H8	126.335	O5	C1	Cl6	116.650
O5	C4	H9	115.516

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

using model chemistry: B3LYP/LANL2DZ

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	0.028
2	C	-0.212
3	C	-0.240
4	C	-0.127
5	O	-0.219
6	Cl	-0.016
7	H	0.267
8	H	0.255
9	H	0.264

	x	y	z	Total
	1.949	-1.487	0.000	2.452
CHELPG
AIM
ESP

	x	y	z
x	7.592	-1.310	0.000
y	-1.310	9.839	0.000
z	0.000	0.000	2.988

<r²>	146.570
(<r²>)^1/2	12.107

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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