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	hartrees
Energy at 0K	-228.644521
Energy at 298.15K
HF Energy	-228.644521
Nuclear repulsion energy	162.281635

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	3457	3139	0.01	190.48	0.13	0.24
2	A₁	3423	3108	0.66	32.08	0.23	0.38
3	A₁	1671	1517	33.66	46.62	0.17	0.29
4	A₁	1534	1393	1.62	16.97	0.39	0.56
5	A₁	1249	1134	1.71	28.01	0.31	0.47
6	A₁	1156	1050	41.44	5.29	0.11	0.21
7	A₁	1074	975	39.27	0.24	0.37	0.54
8	A₁	952	864	18.05	0.50	0.64	0.78
9	A₂	998	907	0.00	1.68	0.75	0.86
10	A₂	847	769	0.00	1.61	0.75	0.86
11	A₂	659	598	0.00	0.13	0.75	0.86
12	B₁	985	895	1.16	1.37	0.75	0.86
13	B₁	851	773	88.90	0.87	0.75	0.86
14	B₁	658	597	35.49	2.95	0.75	0.86
15	B₂	3450	3133	2.81	12.92	0.75	0.86
16	B₂	3410	3096	3.90	96.93	0.75	0.86
17	B₂	1755	1593	1.98	1.95	0.75	0.86
18	B₂	1385	1258	0.14	0.62	0.75	0.86
19	B₂	1305	1185	23.07	0.44	0.75	0.86
20	B₂	1145	1040	0.37	6.70	0.75	0.86
21	B₂	957	869	1.14	4.70	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.143
C2	1.081	0.346
C3	-1.081	0.346
C4	0.722	-0.948
C5	-0.722	-0.948
H6	2.037	0.839
H7	-2.037	0.839
H8	1.383	-1.799
H9	-1.383	-1.799

	O1	C2	C3	C4	C5	H6	H7	H8	H9
O1		1.3431	1.3431	2.2124	2.2124	2.0591	2.0591	3.2504	3.2504
C2	1.3431		2.1621	1.3432	2.2193	1.0753	3.1564	2.1658	3.2663
C3	1.3431	2.1621		2.2193	1.3432	3.1564	1.0753	3.2663	2.1658
C4	2.2124	1.3432	2.2193		1.4434	2.2190	3.2868	1.0770	2.2696
C5	2.2124	2.2193	1.3432	1.4434		3.2868	2.2190	2.2696	1.0770
H6	2.0591	1.0753	3.1564	2.2190	3.2868		4.0731	2.7178	4.3184
H7	2.0591	3.1564	1.0753	3.2868	2.2190	4.0731		4.3184	2.7178
H8	3.2504	2.1658	3.2663	1.0770	2.2696	2.7178	4.3184		2.7650
H9	3.2504	3.2663	2.1658	2.2696	1.0770	4.3184	2.7178	2.7650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.885	O1	C2	H6	116.295
O1	C3	C5	110.885	O1	C3	H7	116.295
C2	O1	C3	107.198	C2	C4	C5	105.516
C2	C4	H8	126.635	C3	C5	C4	105.516
C3	C5	H9	126.635	C4	C2	H6	132.820
C4	C5	H9	127.849	C5	C3	H7	132.820
C5	C4	H8	127.849

All results from a given calculation for C₄H₄O (Furan)

using model chemistry: HF/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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Number	Element	Mulliken
1	O	-0.315
2	C	0.185
3	C	0.185
4	C	-0.098
5	C	-0.098
6	H	0.043
7	H	0.043
8	H	0.028
9	H	0.028

<r²>	80.437
(<r²>)^1/2	8.969

All results from a given calculation for C4H4O (Furan)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄O (Furan)