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	hartrees
Energy at 0K	-231.128636
Energy at 298.15K	-231.135747
Nuclear repulsion energy	174.574916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3258	3117	7.45
2	A₁	3016	2885	5.51
3	A₁	1713	1639	0.12
4	A₁	1522	1456	2.27
5	A₁	1395	1334	5.38
6	A₁	1118	1070	1.29
7	A₁	1006	962	7.87
8	A₁	932	891	24.96
9	A₁	752	719	6.71
10	A₂	3038	2906	0.00
11	A₂	1224	1171	0.00
12	A₂	1056	1010	0.00
13	A₂	950	909	0.00
14	A₂	391	374	0.00
15	B₁	3040	2908	84.74
16	B₁	1178	1127	2.77
17	B₁	1023	978	20.67
18	B₁	677	647	42.95
19	B₁	84	81	10.45
20	B₂	3235	3094	2.72
21	B₂	3011	2880	149.32
22	B₂	1512	1446	0.78
23	B₂	1382	1322	2.99
24	B₂	1324	1266	0.56
25	B₂	1148	1098	105.43
26	B₂	936	895	0.29
27	B₂	807	772	1.65

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.181
C2	0.000	1.169	0.369
C3	0.000	0.665	-1.039
C4	0.000	-0.665	-1.039
C5	0.000	-1.169	0.369
H6	0.887	1.776	0.599
H7	-0.887	1.776	0.599
H8	-0.887	-1.776	0.599
H9	0.887	-1.776	0.599
H10	0.000	1.314	-1.906
H11	0.000	-1.314	-1.906

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4230	2.3175	2.3175	1.4230	2.0690	2.0690	2.0690	2.0690	3.3550	3.3550
C2	1.4230		1.4955	2.3116	2.3372	1.0991	1.0991	3.0840	3.0840	2.2796	3.3673
C3	2.3175	1.4955		1.3295	2.3116	2.1686	2.1686	3.0702	3.0702	1.0831	2.1603
C4	2.3175	2.3116	1.3295		1.4955	3.0702	3.0702	2.1686	2.1686	2.1603	1.0831
C5	1.4230	2.3372	2.3116	1.4955		3.0840	3.0840	1.0991	1.0991	3.3673	2.2796
H6	2.0690	1.0991	2.1686	3.0702	3.0840		1.7732	3.9706	3.5527	2.6965	4.0752
H7	2.0690	1.0991	2.1686	3.0702	3.0840	1.7732		3.5527	3.9706	2.6965	4.0752
H8	2.0690	3.0840	3.0702	2.1686	1.0991	3.9706	3.5527		1.7732	4.0752	2.6965
H9	2.0690	3.0840	3.0702	2.1686	1.0991	3.5527	3.9706	1.7732		4.0752	2.6965
H10	3.3550	2.2796	1.0831	2.1603	3.3673	2.6965	2.6965	4.0752	4.0752		2.6280
H11	3.3550	3.3673	2.1603	1.0831	2.2796	4.0752	4.0752	2.6965	2.6965	2.6280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.106	O1	C2	H6	109.573
O1	C2	H7	109.573	O1	C5	C4	105.106
O1	C5	H8	109.573	O1	C5	H9	109.573
C2	O1	C5	110.409	C2	C3	C4	109.690
C2	C3	H10	123.479	C3	C2	H6	112.505
C3	C2	H7	112.505	C3	C4	C5	109.690
C3	C4	H11	126.832	C4	C3	H10	126.832
C4	C5	H8	112.505	C4	C5	H9	112.505
C5	C4	H11	123.479	H6	C2	H7	107.544
H8	C5	H9	107.544

All results from a given calculation for C₄H₆O (Furan, 2,5-dihydro-)

using model chemistry: B1B95/6-31+G**

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	-0.339
2	C	-0.250
3	C	-0.032
4	C	-0.032
5	C	-0.250
6	H	0.149
7	H	0.149
8	H	0.149
9	H	0.149
10	H	0.153
11	H	0.153

<r²>	94.024
(<r²>)^1/2	9.697

All results from a given calculation for C4H6O (Furan, 2,5-dihydro-)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for C₄H₆O (Furan, 2,5-dihydro-)