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	hartrees
Energy at 0K
Energy at 298.15K
HF Energy	-228.669651
Nuclear repulsion energy	160.675505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3319	3154	0.04	197.66	0.14	0.25
2	A₁	3293	3129	0.21	26.28	0.31	0.47
3	A₁	1517	1442	16.52	22.73	0.21	0.34
4	A₁	1428	1357	6.93	13.05	0.43	0.60
5	A₁	1171	1113	0.02	23.11	0.19	0.32
6	A₁	1121	1065	11.83	6.52	0.25	0.40
7	A₁	1034	982	41.17	1.14	0.24	0.39
8	A₁	884	840	12.76	0.87	0.73	0.84
9	A₂	773	735	0.00	0.49	0.75	0.86
10	A₂	684	650	0.00	0.44	0.75	0.86
11	A₂	570	541	0.00	0.00	0.75	0.86
12	B₁	783	744	1.54	0.00	0.75	0.86
13	B₁	740	703	120.70	0.62	0.75	0.86
14	B₁	624	593	23.70	1.50	0.75	0.86
15	B₂	3313	3148	1.47	12.75	0.75	0.86
16	B₂	3282	3119	1.62	96.57	0.75	0.86
17	B₂	1583	1504	0.11	0.04	0.75	0.86
18	B₂	1291	1227	1.79	0.47	0.75	0.86
19	B₂	1255	1193	29.06	0.68	0.75	0.86
20	B₂	1071	1018	3.16	2.48	0.75	0.86
21	B₂	887	843	0.13	3.30	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.162
C2	1.091	0.351
C3	-1.091	0.351
C4	0.715	-0.965
C5	-0.715	-0.965
H6	2.046	0.855
H7	-2.046	0.855
H8	1.377	-1.820
H9	-1.377	-1.820

	O1	C2	C3	C4	C5	H6	H7	H8	H9
O1		1.3594	1.3594	2.2444	2.2444	2.0688	2.0688	3.2844	3.2844
C2	1.3594		2.1824	1.3691	2.2355	1.0793	3.1772	2.1898	3.2872
C3	1.3594	2.1824		2.2355	1.3691	3.1772	1.0793	3.2872	2.1898
C4	2.2444	1.3691	2.2355		1.4309	2.2545	3.3072	1.0807	2.2602
C5	2.2444	2.2355	1.3691	1.4309		3.3072	2.2545	2.2602	1.0807
H6	2.0688	1.0793	3.1772	2.2545	3.3072		4.0918	2.7569	4.3439
H7	2.0688	3.1772	1.0793	3.3072	2.2545	4.0918		4.3439	2.7569
H8	3.2844	2.1898	3.2872	1.0807	2.2602	2.7569	4.3439		2.7541
H9	3.2844	3.2872	2.1898	2.2602	1.0807	4.3439	2.7569	2.7541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.682	O1	C2	H6	115.584
O1	C3	C5	110.682	O1	C3	H7	115.584
C2	O1	C3	106.777	C2	C4	C5	105.929
C2	C4	H8	126.321	C3	C5	C4	105.929
C3	C5	H9	126.321	C4	C2	H6	133.734
C4	C5	H9	127.750	C5	C3	H7	133.734
C5	C4	H8	127.750

All results from a given calculation for C₄H₄O (Furan)

using model chemistry: MP2/6-311G*

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 C4H4O (Furan)

using model chemistry: MP2/6-311G*

States and conformations

All results from a given calculation for C₄H₄O (Furan)