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	hartrees
Energy at 0K	-688.483761
Energy at 298.15K	-688.487522
HF Energy	-687.569370
Nuclear repulsion energy	263.088250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3313	3210	0.05
2	A'	3297	3194	0.55
3	A'	3275	3172	1.99
4	A'	1627	1576	18.73
5	A'	1550	1501	62.15
6	A'	1405	1361	10.45
7	A'	1243	1205	15.77
8	A'	1206	1168	52.70
9	A'	1140	1105	5.88
10	A'	1080	1046	17.68
11	A'	1023	991	24.00
12	A'	926	897	26.10
13	A'	887	859	2.11
14	A'	495	479	3.47
15	A'	311	301	0.60
16	A"	834	808	0.00
17	A"	797	772	23.11
18	A"	735	712	57.37
19	A"	610	591	4.42
20	A"	590	572	5.54
21	A"	221	214	2.18

Atom	x (Å)	y (Å)
C1	0.000	0.270
C2	1.321	-0.079
C3	1.327	-1.533
C4	0.016	-1.923
O5	-0.820	-0.822
Cl6	-0.783	1.803
H7	2.169	0.602
H8	2.196	-2.189
H9	-0.483	-2.889

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3664	2.2390	2.1934	1.3655	1.7206	2.1941	3.2972	3.1957
C2	1.3664		1.4537	2.2591	2.2658	2.8225	1.0876	2.2842	3.3388
C3	2.2390	1.4537		1.3682	2.2615	3.9467	2.2947	1.0889	2.2617
C4	2.1934	2.2591	1.3682		1.3822	3.8102	3.3183	2.1964	1.0868
O5	1.3655	2.2658	2.2615	1.3822		2.6247	3.3103	3.3111	2.0940
Cl6	1.7206	2.8225	3.9467	3.8102	2.6247		3.1865	4.9806	4.7007
H7	2.1941	1.0876	2.2947	3.3183	3.3103	3.1865		2.7911	4.3837
H8	3.2972	2.2842	1.0889	2.1964	3.3111	4.9806	2.7911		2.7690
H9	3.1957	3.3388	2.2617	1.0868	2.0940	4.7007	4.3837	2.7690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.065	C1	C2	H7	126.406
C1	O5	C4	105.929	C2	C1	O5	112.065
C2	C1	Cl6	131.883	C2	C3	C4	106.326
C2	C3	H8	127.307	C3	C2	H7	128.530
C3	C4	O5	110.616	C3	C4	H9	133.894
C4	C3	H8	126.368	O5	C1	Cl6	116.052
O5	C4	H9	115.490

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

using model chemistry: QCISD/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: QCISD/aug-cc-pVDZ

States and conformations

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