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	hartrees
Energy at 0K	-42.083719
Energy at 298.15K	-42.090755
Nuclear repulsion energy	93.374393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3252	3113	9.29
2	A₁	3027	2897	8.09
3	A₁	1714	1641	0.11
4	A₁	1519	1454	2.27
5	A₁	1399	1339	6.84
6	A₁	1096	1049	1.10
7	A₁	1007	964	9.46
8	A₁	940	900	24.04
9	A₁	739	708	5.72
10	A₂	3051	2920	0.00
11	A₂	1217	1165	0.00
12	A₂	1038	993	0.00
13	A₂	949	908	0.00
14	A₂	362	346	0.00
15	B₁	3054	2923	127.88
16	B₁	1171	1121	5.02
17	B₁	1011	967	24.11
18	B₁	681	652	52.84
19	B₁	82	78	12.77
20	B₂	3222	3084	3.25
21	B₂	3021	2892	176.00
22	B₂	1507	1442	0.40
23	B₂	1375	1317	1.57
24	B₂	1303	1247	0.52
25	B₂	1172	1122	101.23
26	B₂	931	891	0.74
27	B₂	786	752	0.34

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.190
C2	0.000	1.173	0.379
C3	0.000	0.678	-1.054
C4	0.000	-0.678	-1.054
C5	0.000	-1.173	0.379
H6	0.893	1.788	0.607
H7	-0.893	1.788	0.607
H8	-0.893	-1.788	0.607
H9	0.893	-1.788	0.607
H10	0.000	1.336	-1.925
H11	0.000	-1.336	-1.925

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4262	2.3443	2.3443	1.4262	2.0817	2.0817	2.0817	2.0817	3.3893	3.3893
C2	1.4262		1.5157	2.3405	2.3456	1.1084	1.1084	3.1007	3.1007	2.3093	3.4057
C3	2.3443	1.5157		1.3559	2.3405	2.1884	2.1884	3.1043	3.1043	1.0914	2.1940
C4	2.3443	2.3405	1.3559		1.5157	3.1043	3.1043	2.1884	2.1884	2.1940	1.0914
C5	1.4262	2.3456	2.3405	1.5157		3.1007	3.1007	1.1084	1.1084	3.4057	2.3093
H6	2.0817	1.1084	2.1884	3.1043	3.1007		1.7868	3.9969	3.5753	2.7228	4.1189
H7	2.0817	1.1084	2.1884	3.1043	3.1007	1.7868		3.5753	3.9969	2.7228	4.1189
H8	2.0817	3.1007	3.1043	2.1884	1.1084	3.9969	3.5753		1.7868	4.1189	2.7228
H9	2.0817	3.1007	3.1043	2.1884	1.1084	3.5753	3.9969	1.7868		4.1189	2.7228
H10	3.3893	2.3093	1.0914	2.1940	3.4057	2.7228	2.7228	4.1189	4.1189		2.6715
H11	3.3893	3.4057	2.1940	1.0914	2.3093	4.1189	4.1189	2.7228	2.7228	2.6715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.628	O1	C2	H6	109.808
O1	C2	H7	109.808	O1	C5	C4	105.628
O1	C5	H8	109.808	O1	C5	H9	109.808
C2	O1	C5	110.637	C2	C3	C4	109.054
C2	C3	H10	123.881	C3	C2	H6	112.086
C3	C2	H7	112.086	C3	C4	C5	109.054
C3	C4	H11	127.065	C4	C3	H10	127.065
C4	C5	H8	112.086	C4	C5	H9	112.086
C5	C4	H11	123.881	H6	C2	H7	107.426
H8	C5	H9	107.426

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

using model chemistry: B1B95/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	-0.193
2	C	-0.214
3	C	-0.274
4	C	-0.274
5	C	-0.214
6	H	0.142
7	H	0.142
8	H	0.142
9	H	0.142
10	H	0.301
11	H	0.301

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G*

States and conformations

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