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	hartrees
Energy at 0K	-688.709872
Energy at 298.15K	-688.713775
HF Energy	-687.639197
Nuclear repulsion energy	266.142123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3346	3161	0.01
2	A'	3334	3149	1.11
3	A'	3313	3130	1.36
4	A'	1651	1560	16.58
5	A'	1561	1475	62.78
6	A'	1439	1359	16.46
7	A'	1287	1216	42.58
8	A'	1245	1176	32.24
9	A'	1177	1112	8.44
10	A'	1118	1057	17.17
11	A'	1040	983	22.83
12	A'	955	902	27.23
13	A'	911	861	1.67
14	A'	506	478	3.69
15	A'	318	301	0.41
16	A"	893	843	0.02
17	A"	832	786	18.94
18	A"	766	724	60.45
19	A"	649	613	4.06
20	A"	617	583	6.44
21	A"	233	221	2.10

Atom	x (Å)	y (Å)
C1	0.000	0.264
C2	1.304	-0.096
C3	1.292	-1.534
C4	-0.010	-1.900
O5	-0.819	-0.804
Cl6	-0.749	1.795
H7	2.147	0.566
H8	2.139	-2.193
H9	-0.511	-2.848

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3525	2.2144	2.1646	1.3465	1.7040	2.1681	3.2580	3.1541
C2	1.3525		1.4385	2.2323	2.2381	2.7907	1.0721	2.2576	3.2966
C3	2.2144	1.4385		1.3528	2.2338	3.9049	2.2678	1.0733	2.2307
C4	2.1646	2.2323	1.3528		1.3622	3.7683	3.2769	2.1695	1.0718
O5	1.3465	2.2381	2.2338	1.3622		2.6002	3.2676	3.2682	2.0670
Cl6	1.7040	2.7907	3.9049	3.7683	2.6002		3.1458	4.9239	4.6492
H7	2.1681	1.0721	2.2678	3.2769	3.2676	3.1458		2.7592	4.3268
H8	3.2580	2.2576	1.0733	2.1695	3.2682	4.9239	2.7592		2.7298
H9	3.1541	3.2966	2.2307	1.0718	2.0670	4.6492	4.3268	2.7298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.970	C1	C2	H7	126.431
C1	O5	C4	106.093	C2	C1	O5	112.039
C2	C1	Cl6	131.512	C2	C3	C4	106.172
C2	C3	H8	127.398	C3	C2	H7	128.599
C3	C4	O5	110.726	C3	C4	H9	133.530
C4	C3	H8	126.431	O5	C1	Cl6	116.449
O5	C4	H9	115.744

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

using model chemistry: MP3/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/cc-pVTZ

States and conformations

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