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	hartrees
Energy at 0K	-688.453561
Energy at 298.15K	-688.457280
HF Energy	-687.568280
Nuclear repulsion energy	263.246353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3326	3190	0.20
2	A'	3309	3173	1.23
3	A'	3289	3154	0.94
4	A'	1574	1509	11.61
5	A'	1495	1434	55.62
6	A'	1399	1342	10.26
7	A'	1238	1187	41.72
8	A'	1216	1166	49.04
9	A'	1145	1098	2.39
10	A'	1080	1036	11.36
11	A'	1026	984	25.12
12	A'	917	879	23.03
13	A'	879	843	2.46
14	A'	496	476	3.53
15	A'	310	297	0.59
16	A"	815	782	0.08
17	A"	775	743	33.77
18	A"	706	677	53.02
19	A"	606	581	7.95
20	A"	591	567	1.26
21	A"	215	206	1.82

Atom	x (Å)	y (Å)
C1	0.000	0.273
C2	1.325	-0.108
C3	1.306	-1.546
C4	-0.020	-1.921
O5	-0.833	-0.807
Cl6	-0.754	1.812
H7	2.182	0.562
H8	2.161	-2.219
H9	-0.538	-2.876

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3789	2.2386	2.1941	1.3631	1.7136	2.2011	3.2981	3.1945
C2	1.3789		1.4380	2.2586	2.2685	2.8295	1.0871	2.2704	3.3374
C3	2.2386	1.4380		1.3787	2.2628	3.9387	2.2822	1.0883	2.2742
C4	2.1941	2.2586	1.3787		1.3793	3.8044	3.3192	2.2020	1.0862
O5	1.3631	2.2685	2.2628	1.3793		2.6195	3.3107	3.3102	2.0905
Cl6	1.7136	2.8295	3.9387	3.8044	2.6195		3.1906	4.9739	4.6929
H7	2.2011	1.0871	2.2822	3.3192	3.3107	3.1906		2.7804	4.3840
H8	3.2981	2.2704	1.0883	2.2020	3.3102	4.9739	2.7804		2.7785
H9	3.1945	3.3374	2.2742	1.0862	2.0905	4.6929	4.3840	2.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.234	C1	C2	H7	125.985
C1	O5	C4	106.274	C2	C1	O5	111.644
C2	C1	Cl6	132.095	C2	C3	C4	106.591
C2	C3	H8	127.423	C3	C2	H7	128.781
C3	C4	O5	110.256	C3	C4	H9	134.281
C4	C3	H8	125.986	O5	C1	Cl6	116.262
O5	C4	H9	115.463

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

using model chemistry: MP2/aug-cc-pVDZ

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: MP2/aug-cc-pVDZ

States and conformations

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