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	hartrees
Energy at 0K	-688.431658
Energy at 298.15K	-688.435443
HF Energy	-687.531981
Nuclear repulsion energy	265.386628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3395	3163	0.05
2	A'	3376	3145	0.54
3	A'	3357	3128	1.77
4	A'	1671	1556	13.64
5	A'	1579	1471	72.86
6	A'	1458	1358	12.26
7	A'	1305	1216	42.77
8	A'	1257	1171	40.88
9	A'	1181	1100	9.08
10	A'	1129	1052	17.00
11	A'	1059	987	22.38
12	A'	957	891	29.87
13	A'	911	849	2.04
14	A'	509	475	3.57
15	A'	323	301	0.72
16	A"	825	768	5.10
17	A"	780	727	26.20
18	A"	741	691	63.99
19	A"	612	570	10.78
20	A"	570	531	0.53
21	A"	222	207	2.63

Atom	x (Å)	y (Å)
C1	0.000	0.269
C2	1.308	-0.090
C3	1.305	-1.529
C4	0.002	-1.909
O5	-0.817	-0.811
Cl6	-0.763	1.794
H7	2.151	0.575
H8	2.159	-2.180
H9	-0.496	-2.858

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3566	2.2217	2.1782	1.3547	1.7047	2.1725	3.2652	3.1669
C2	1.3566		1.4389	2.2395	2.2445	2.7994	1.0732	2.2568	3.3047
C3	2.2217	1.4389		1.3575	2.2405	3.9134	2.2669	1.0742	2.2389
C4	2.1782	2.2395	1.3575		1.3698	3.7809	3.2842	2.1743	1.0723
O5	1.3547	2.2445	2.2405	1.3698		2.6055	3.2758	3.2763	2.0725
Cl6	1.7047	2.7994	3.9134	3.7809	2.6055		3.1585	4.9325	4.6600
H7	2.1725	1.0732	2.2669	3.2842	3.2758	3.1585		2.7546	4.3351
H8	3.2652	2.2568	1.0742	2.1743	3.2763	4.9325	2.7546		2.7406
H9	3.1669	3.3047	2.2389	1.0723	2.0725	4.6600	4.3351	2.7406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.228	C1	C2	H7	126.401
C1	O5	C4	106.160	C2	C1	O5	111.758
C2	C1	Cl6	131.930	C2	C3	C4	106.388
C2	C3	H8	127.207	C3	C2	H7	128.371
C3	C4	O5	110.466	C3	C4	H9	133.938
C4	C3	H8	126.405	O5	C1	Cl6	116.312
O5	C4	H9	115.596

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

using model chemistry: MP3=FULL/6-31+G**

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/6-31+G**

States and conformations

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