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	hartrees
Energy at 0K	-688.498391
Energy at 298.15K	-688.502206
HF Energy	-687.595948
Nuclear repulsion energy	265.364624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3321	3172	0.23
2	A'	3305	3157	0.54
3	A'	3285	3138	1.81
4	A'	1647	1573	16.52
5	A'	1557	1487	61.02
6	A'	1434	1370	18.08
7	A'	1285	1227	64.92
8	A'	1243	1187	20.77
9	A'	1177	1124	9.48
10	A'	1116	1066	17.65
11	A'	1039	992	21.97
12	A'	952	909	27.38
13	A'	905	864	1.06
14	A'	506	483	3.07
15	A'	317	303	0.47
16	A"	844	806	1.19
17	A"	791	756	18.06
18	A"	751	717	57.80
19	A"	628	600	10.41
20	A"	583	557	1.74
21	A"	224	214	2.35

Atom	x (Å)	y (Å)
C1	0.000	0.264
C2	1.307	-0.106
C3	1.284	-1.549
C4	-0.027	-1.904
O5	-0.829	-0.800
Cl6	-0.736	1.805
H7	2.161	0.553
H8	2.133	-2.218
H9	-0.543	-2.852

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3583	2.2220	2.1689	1.3490	1.7076	2.1805	3.2723	3.1630
C2	1.3583		1.4428	2.2390	2.2453	2.7974	1.0791	2.2670	3.3103
C3	2.2220	1.4428		1.3589	2.2416	3.9154	2.2772	1.0802	2.2438
C4	2.1689	2.2390	1.3589		1.3643	3.7767	3.2904	2.1825	1.0785
O5	1.3490	2.2453	2.2416	1.3643		2.6072	3.2818	3.2830	2.0715
Cl6	1.7076	2.7974	3.9154	3.7767	2.6072		3.1562	4.9406	4.6612
H7	2.1805	1.0791	2.2772	3.2904	3.2818	3.1562		2.7702	4.3475
H8	3.2723	2.2670	1.0802	2.1825	3.2830	4.9406	2.7702		2.7493
H9	3.1630	3.3103	2.2438	1.0785	2.0715	4.6612	4.3475	2.7493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.938	C1	C2	H7	126.539
C1	O5	C4	106.133	C2	C1	O5	112.065
C2	C1	Cl6	131.349	C2	C3	C4	106.059
C2	C3	H8	127.347	C3	C2	H7	128.524
C3	C4	O5	110.806	C3	C4	H9	133.702
C4	C3	H8	126.594	O5	C1	Cl6	116.586
O5	C4	H9	115.492

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

using model chemistry: CCD/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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All results from a given calculation for C4H3ClO (Furan, 2-chloro)

using model chemistry: CCD/6-311G**

States and conformations

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