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	hartrees
Energy at 0K	-688.819074
Energy at 298.15K	-688.823043
HF Energy	-687.639870
Nuclear repulsion energy	267.066473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3366	3139	0.13
2	A'	3356	3130	1.07
3	A'	3331	3107	1.30
4	A'	1665	1553	17.81
5	A'	1575	1469	62.63
6	A'	1452	1354	15.39
7	A'	1300	1212	39.84
8	A'	1257	1172	34.05
9	A'	1188	1108	8.52
10	A'	1129	1053	17.09
11	A'	1052	981	22.29
12	A'	963	898	27.87
13	A'	918	856	1.67
14	A'	511	476	3.57
15	A'	322	301	0.42
16	A"	923	861	0.33
17	A"	863	805	19.89
18	A"	785	732	60.50
19	A"	668	623	2.26
20	A"	628	585	6.89
21	A"	241	224	2.18

Atom	x (Å)	y (Å)
C1	0.000	0.263
C2	1.298	-0.097
C3	1.287	-1.529
C4	-0.011	-1.895
O5	-0.816	-0.802
Cl6	-0.746	1.790
H7	2.139	0.559
H8	2.131	-2.184
H9	-0.508	-2.839

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3469	2.2065	2.1580	1.3417	1.6993	2.1590	3.2447	3.1434
C2	1.3469		1.4323	2.2237	2.2285	2.7815	1.0667	2.2470	3.2830
C3	2.2065	1.4323		1.3481	2.2253	3.8922	2.2558	1.0680	2.2215
C4	2.1580	2.2237	1.3481		1.3578	3.7575	3.2625	2.1609	1.0668
O5	1.3417	2.2285	2.2253	1.3578		2.5929	3.2533	3.2549	2.0605
Cl6	1.6993	2.7815	3.8922	3.7575	2.5929		3.1357	4.9057	4.6353
H7	2.1590	1.0667	2.2558	3.2625	3.2533	3.1357		2.7435	4.3072
H8	3.2447	2.2470	1.0680	2.1609	3.2549	4.9057	2.7435		2.7182
H9	3.1434	3.2830	2.2215	1.0668	2.0605	4.6353	4.3072	2.7182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.065	C1	C2	H7	126.507
C1	O5	C4	106.145	C2	C1	O5	111.964
C2	C1	Cl6	131.530	C2	C3	C4	106.175
C2	C3	H8	127.366	C3	C2	H7	128.428
C3	C4	O5	110.650	C3	C4	H9	133.479
C4	C3	H8	126.459	O5	C1	Cl6	116.506
O5	C4	H9	115.870

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

using model chemistry: MP3=FULL/cc-pVTZ

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: MP3=FULL/cc-pVTZ

States and conformations

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