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	hartrees
Energy at 0K	-689.322191
Energy at 298.15K	-689.316452
HF Energy	-687.520946
Nuclear repulsion energy	267.505632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3493	3291	0.79
2	A'	3465	3264	0.37
3	A'	3445	3246	3.99
4	A'	1783	1680	30.12
5	A'	1679	1582	78.44
6	A'	1542	1453	15.80
7	A'	1373	1293	19.08
8	A'	1318	1242	41.80
9	A'	1239	1167	14.24
10	A'	1191	1122	31.53
11	A'	1101	1037	19.09
12	A'	1021	962	40.43
13	A'	970	914	2.33
14	A'	532	502	4.93
15	A'	339	320	0.47
16	A"	1007	949	0.20
17	A"	933	879	17.62
18	A"	853	803	61.27
19	A"	705	664	5.37
20	A"	657	619	10.27
21	A"	252	238	2.36

Atom	x (Å)	y (Å)
C1	0.000	0.270
C2	1.310	-0.112
C3	1.290	-1.538
C4	-0.022	-1.909
O5	-0.832	-0.803
Cl6	-0.740	1.804
H7	2.167	0.546
H8	2.142	-2.202
H9	-0.540	-2.856

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3650	2.2208	2.1799	1.3576	1.7027	2.1846	3.2715	3.1729
C2	1.3650		1.4260	2.2379	2.2508	2.8060	1.0802	2.2499	3.3099
C3	2.2208	1.4260		1.3638	2.2452	3.9095	2.2609	1.0810	2.2551
C4	2.1799	2.2379	1.3638		1.3712	3.7819	3.2900	2.1844	1.0789
O5	1.3576	2.2508	2.2452	1.3712		2.6079	3.2882	3.2869	2.0745
Cl6	1.7027	2.8060	3.9095	3.7819	2.6079		3.1676	4.9351	4.6645
H7	2.1846	1.0802	2.2609	3.2900	3.2882	3.1676		2.7484	4.3477
H8	3.2715	2.2499	1.0810	2.1844	3.2869	4.9351	2.7484		2.7604
H9	3.1729	3.3099	2.2551	1.0789	2.0745	4.6645	4.3477	2.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.018	C1	C2	H7	126.515
C1	O5	C4	106.584	C2	C1	O5	111.790
C2	C1	Cl6	131.811	C2	C3	C4	106.216
C2	C3	H8	127.282	C3	C2	H7	128.467
C3	C4	O5	110.392	C3	C4	H9	134.050
C4	C3	H8	126.502	O5	C1	Cl6	116.400
O5	C4	H9	115.558

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

using model chemistry: G3

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: G3

States and conformations

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