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	hartrees
Energy at 0K	-689.370852
Energy at 298.15K	-689.374526
HF Energy	-689.043977
Nuclear repulsion energy	265.030908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3321	3169	0.25
2	A'	3301	3150	0.78
3	A'	3282	3131	1.46
4	A'	1602	1529	18.03
5	A'	1516	1446	64.06
6	A'	1410	1346	16.84
7	A'	1258	1201	8.93
8	A'	1203	1148	54.59
9	A'	1149	1097	10.50
10	A'	1088	1039	17.98
11	A'	1034	986	25.38
12	A'	937	894	28.27
13	A'	902	861	1.61
14	A'	493	470	5.33
15	A'	314	300	0.51
16	A"	789	752	15.88
17	A"	756	722	13.95
18	A"	713	680	57.76
19	A"	610	582	9.93
20	A"	521	497	0.03
21	A"	217	207	2.29

Atom	x (Å)	y (Å)
C1	0.000	0.265
C2	1.307	-0.096
C3	1.304	-1.528
C4	0.005	-1.913
O5	-0.817	-0.815
Cl6	-0.764	1.802
H7	2.153	0.567
H8	2.162	-2.177
H9	-0.495	-2.863

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3562	2.2169	2.1777	1.3544	1.7162	2.1741	3.2617	3.1670
C2	1.3562		1.4320	2.2358	2.2428	2.8088	1.0747	2.2502	3.3026
C3	2.2169	1.4320		1.3555	2.2376	3.9195	2.2606	1.0759	2.2407
C4	2.1777	2.2358	1.3555		1.3709	3.7933	3.2814	2.1734	1.0737
O5	1.3544	2.2428	2.2376	1.3709		2.6177	3.2761	3.2754	2.0729
Cl6	1.7162	2.8088	3.9195	3.7933	2.6177		3.1670	4.9389	4.6727
H7	2.1741	1.0747	2.2606	3.2814	3.2761	3.1670		2.7449	4.3338
H8	3.2617	2.2502	1.0759	2.1734	3.2754	4.9389	2.7449		2.7441
H9	3.1670	3.3026	2.2407	1.0737	2.0729	4.6727	4.3338	2.7441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.299	C1	C2	H7	126.470
C1	O5	C4	106.085	C2	C1	O5	111.676
C2	C1	Cl6	131.844	C2	C3	C4	106.629
C2	C3	H8	127.017	C3	C2	H7	128.231
C3	C4	O5	110.312	C3	C4	H9	134.243
C4	C3	H8	126.354	O5	C1	Cl6	116.481
O5	C4	H9	115.445

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

using model chemistry: B2PLYP=FULL/TZVP

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: B2PLYP=FULL/TZVP

States and conformations

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