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	hartrees
Energy at 0K	-688.527536
Energy at 298.15K	-688.530816
HF Energy	-687.615467
Nuclear repulsion energy	264.950001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3332	3183	0.07
2	A'	3315	3167	0.47
3	A'	3295	3147	1.94
4	A'	1641	1568	16.77
5	A'	1558	1488	64.98
6	A'	1426	1362	14.82
7	A'	1274	1217	22.41
8	A'	1227	1172	48.71
9	A'	1163	1111	11.18
10	A'	1104	1055	20.36
11	A'	1038	992	22.47
12	A'	946	904	28.19
13	A'	905	864	1.15
14	A'	498	476	3.71
15	A'	315	301	0.44
16	A"	752	718	30.17
17	A"	700	669	49.99
18	A"	684	653	0.42
19	A"	587	560	13.69
20	A"	217	207	0.87
21	A"	198	190	1.74

Atom	x (Å)	y (Å)
C1	0.000	0.264
C2	1.307	-0.082
C3	1.315	-1.523
C4	0.019	-1.911
O5	-0.813	-0.821
Cl6	-0.776	1.796
H7	2.148	0.589
H8	2.177	-2.169
H9	-0.474	-2.867

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3522	2.2187	2.1750	1.3554	1.7172	2.1725	3.2646	3.1663
C2	1.3522		1.4414	2.2376	2.2453	2.8045	1.0758	2.2611	3.3057
C3	2.2187	1.4414		1.3531	2.2409	3.9227	2.2710	1.0770	2.2371
C4	2.1750	2.2376	1.3531		1.3713	3.7911	3.2843	2.1735	1.0751
O5	1.3554	2.2453	2.2409	1.3713		2.6168	3.2796	3.2797	2.0740
Cl6	1.7172	2.8045	3.9227	3.7911	2.6168		3.1630	4.9436	4.6723
H7	2.1725	1.0758	2.2710	3.2843	3.2796	3.1630		2.7587	4.3381
H8	3.2646	2.2611	1.0770	2.1735	3.2797	4.9436	2.7587		2.7408
H9	3.1663	3.3057	2.2371	1.0751	2.0740	4.6723	4.3381	2.7408

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.118	C1	C2	H7	126.581
C1	O5	C4	105.813	C2	C1	O5	112.043
C2	C1	Cl6	131.676	C2	C3	C4	106.351
C2	C3	H8	127.157	C3	C2	H7	128.301
C3	C4	O5	110.675	C3	C4	H9	133.920
C4	C3	H8	126.492	O5	C1	Cl6	116.282
O5	C4	H9	115.405

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

using model chemistry: QCISD/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: QCISD/TZVP

States and conformations

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