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	hartrees
Energy at 0K	-688.212253
Energy at 298.15K	-688.216224
HF Energy	-687.520532
Nuclear repulsion energy	266.816702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3431	3169	0.09
2	A'	3408	3148	0.52
3	A'	3390	3131	2.16
4	A'	1733	1601	23.45
5	A'	1633	1509	64.91
6	A'	1501	1387	13.70
7	A'	1339	1237	41.26
8	A'	1294	1196	30.40
9	A'	1218	1125	9.50
10	A'	1167	1078	19.32
11	A'	1087	1004	21.56
12	A'	989	913	35.21
13	A'	938	866	1.93
14	A'	523	484	3.70
15	A'	331	306	0.46
16	A"	903	835	0.25
17	A"	856	790	21.56
18	A"	798	737	56.11
19	A"	667	616	8.84
20	A"	626	578	5.26
21	A"	241	223	2.09

Atom	x (Å)	y (Å)
C1	0.000	0.264
C2	1.298	-0.089
C3	1.295	-1.523
C4	0.003	-1.898
O5	-0.809	-0.808
Cl6	-0.759	1.788
H7	2.143	0.574
H8	2.151	-2.173
H9	-0.496	-2.847

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3454	2.2073	2.1617	1.3436	1.7019	2.1649	3.2506	3.1502
C2	1.3454		1.4341	2.2245	2.2268	2.7844	1.0736	2.2518	3.2900
C3	2.2073	1.4341		1.3454	2.2225	3.8962	2.2617	1.0745	2.2272
C4	2.1617	2.2245	1.3454		1.3586	3.7630	3.2689	2.1655	1.0724
O5	1.3436	2.2268	2.2225	1.3586		2.5964	3.2595	3.2595	2.0623
Cl6	1.7019	2.7844	3.8962	3.7630	2.5964		3.1452	4.9146	4.6417
H7	2.1649	1.0736	2.2617	3.2689	3.2595	3.1452		2.7470	4.3201
H8	3.2506	2.2518	1.0745	2.1655	3.2595	4.9146	2.7470		2.7312
H9	3.1502	3.2900	2.2272	1.0724	2.0623	4.6417	4.3201	2.7312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.105	C1	C2	H7	126.650
C1	O5	C4	106.254	C2	C1	O5	111.811
C2	C1	Cl6	131.704	C2	C3	C4	106.273
C2	C3	H8	127.108	C3	C2	H7	128.245
C3	C4	O5	110.556	C3	C4	H9	133.887
C4	C3	H8	126.619	O5	C1	Cl6	116.485
O5	C4	H9	115.556

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

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