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	hartrees
Energy at 0K	-231.085549
Energy at 298.15K	-231.092546
HF Energy	-231.085549
Nuclear repulsion energy	172.975312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3186	3131	13.87
2	A₁	2934	2884	7.31
3	A₁	1647	1619	0.53
4	A₁	1492	1466	2.12
5	A₁	1358	1334	5.86
6	A₁	1095	1076	1.34
7	A₁	971	955	6.82
8	A₁	872	857	24.36
9	A₁	735	723	6.32
10	A₂	2950	2899	0.00
11	A₂	1192	1172	0.00
12	A₂	1030	1013	0.00
13	A₂	910	894	0.00
14	A₂	379	373	0.00
15	B₁	2951	2900	107.86
16	B₁	1143	1124	4.11
17	B₁	998	981	17.42
18	B₁	649	638	43.40
19	B₁	85	83	9.45
20	B₂	3163	3108	6.01
21	B₂	2928	2877	182.55
22	B₂	1482	1456	2.02
23	B₂	1342	1319	2.64
24	B₂	1297	1275	0.13
25	B₂	1062	1044	96.82
26	B₂	900	884	0.00
27	B₂	788	775	4.15

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.198
C2	0.000	1.180	0.369
C3	0.000	0.670	-1.048
C4	0.000	-0.670	-1.048
C5	0.000	-1.180	0.369
H6	0.892	1.791	0.601
H7	-0.892	1.791	0.601
H8	-0.892	-1.791	0.601
H9	0.892	-1.791	0.601
H10	0.000	1.322	-1.919
H11	0.000	-1.322	-1.919

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4424	2.3437	2.3437	1.4424	2.0880	2.0880	2.0880	2.0880	3.3859	3.3859
C2	1.4424		1.5061	2.3306	2.3609	1.1056	1.1056	3.1109	3.1109	2.2925	3.3908
C3	2.3437	1.5061		1.3400	2.3306	2.1840	2.1840	3.0933	3.0933	1.0882	2.1742
C4	2.3437	2.3306	1.3400		1.5061	3.0933	3.0933	2.1840	2.1840	2.1742	1.0882
C5	1.4424	2.3609	2.3306	1.5061		3.1109	3.1109	1.1056	1.1056	3.3908	2.2925
H6	2.0880	1.1056	2.1840	3.0933	3.1109		1.7847	4.0014	3.5813	2.7139	4.1029
H7	2.0880	1.1056	2.1840	3.0933	3.1109	1.7847		3.5813	4.0014	2.7139	4.1029
H8	2.0880	3.1109	3.0933	2.1840	1.1056	4.0014	3.5813		1.7847	4.1029	2.7139
H9	2.0880	3.1109	3.0933	2.1840	1.1056	3.5813	4.0014	1.7847		4.1029	2.7139
H10	3.3859	2.2925	1.0882	2.1742	3.3908	2.7139	2.7139	4.1029	4.1029		2.6439
H11	3.3859	3.3908	2.1742	1.0882	2.2925	4.1029	4.1029	2.7139	2.7139	2.6439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.233	O1	C2	H6	109.523
O1	C2	H7	109.523	O1	C5	C4	105.233
O1	C5	H8	109.523	O1	C5	H9	109.523
C2	O1	C5	110.034	C2	C3	C4	109.750
C2	C3	H10	123.414	C3	C2	H6	112.510
C3	C2	H7	112.510	C3	C4	C5	109.750
C3	C4	H11	126.837	C4	C3	H10	126.837
C4	C5	H8	112.510	C4	C5	H9	112.510
C5	C4	H11	123.414	H6	C2	H7	107.504
H8	C5	H9	107.504

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

using model chemistry: B97D3/6-31+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	-0.331
2	C	-0.246
3	C	-0.020
4	C	-0.020
5	C	-0.246
6	H	0.144
7	H	0.144
8	H	0.144
9	H	0.144
10	H	0.143
11	H	0.143

<r²>	95.536
(<r²>)^1/2	9.774

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

using model chemistry: B97D3/6-31+G**

States and conformations

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