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	hartrees
Energy at 0K	-39.827806
Energy at 298.15K
HF Energy	-39.827806
Nuclear repulsion energy	82.523681

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	3524	3177	0.31	172.21	0.21	0.34
2	A₁	3477	3134	2.50	33.10	0.37	0.54
3	A₁	1639	1477	32.78	71.11	0.19	0.32
4	A₁	1526	1376	2.08	12.13	0.48	0.65
5	A₁	1246	1124	0.01	28.01	0.24	0.38
6	A₁	1130	1019	4.32	9.27	0.23	0.38
7	A₁	1072	967	81.12	4.93	0.24	0.39
8	A₁	940	848	26.34	2.41	0.75	0.85
9	A₂	1049	945	0.00	0.31	0.75	0.86
10	A₂	882	795	0.00	9.68	0.75	0.86
11	A₂	656	591	0.00	0.12	0.75	0.86
12	B₁	1019	918	0.14	13.15	0.75	0.86
13	B₁	873	787	165.93	0.13	0.75	0.86
14	B₁	640	577	39.08	5.22	0.75	0.86
15	B₂	3513	3167	7.67	14.08	0.75	0.86
16	B₂	3460	3119	6.91	74.19	0.75	0.86
17	B₂	1725	1555	1.16	2.95	0.75	0.86
18	B₂	1389	1252	0.28	0.18	0.75	0.86
19	B₂	1293	1166	29.53	1.59	0.75	0.86
20	B₂	1140	1027	0.27	5.71	0.75	0.86
21	B₂	959	865	0.50	9.95	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.164
C2	1.114	0.351
C3	-1.114	0.351
C4	0.731	-0.964
C5	-0.731	-0.964
H6	2.064	0.841
H7	-2.064	0.841
H8	1.378	-1.817
H9	-1.378	-1.817

	O1	C2	C3	C4	C5	H6	H7	H8	H9
O1		1.3790	1.3790	2.2499	2.2499	2.0895	2.0895	3.2839	3.2839
C2	1.3790		2.2286	1.3704	2.2659	1.0691	3.2163	2.1844	3.3035
C3	1.3790	2.2286		2.2659	1.3704	3.2163	1.0691	3.3035	2.1844
C4	2.2499	1.3704	2.2659		1.4611	2.2449	3.3275	1.0707	2.2744
C5	2.2499	2.2659	1.3704	1.4611		3.3275	2.2449	2.2744	1.0707
H6	2.0895	1.0691	3.2163	2.2449	3.3275		4.1290	2.7457	4.3494
H7	2.0895	3.2163	1.0691	3.3275	2.2449	4.1290		4.3494	2.7457
H8	3.2839	2.1844	3.3035	1.0707	2.2744	2.7457	4.3494		2.7558
H9	3.2839	3.3035	2.1844	2.2744	1.0707	4.3494	2.7457	2.7558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	109.833	O1	C2	H6	116.626
O1	C3	C5	109.833	O1	C3	H7	116.626
C2	O1	C3	107.810	C2	C4	C5	106.262
C2	C4	H8	126.538	C3	C5	C4	106.262
C3	C5	H9	126.538	C4	C2	H6	133.541
C4	C5	H9	127.200	C5	C3	H7	133.541
C5	C4	H8	127.200

All results from a given calculation for C₄H₄O (Furan)

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	O	-0.251
2	C	-0.251
3	C	-0.251
4	C	-0.169
5	C	-0.169
6	H	0.256
7	H	0.256
8	H	0.290
9	H	0.290

<r²>	68.959
(<r²>)^1/2	8.304

All results from a given calculation for C4H4O (Furan)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for C₄H₄O (Furan)