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	hartrees
Energy at 0K	-229.880074
Energy at 298.15K	-229.887550
HF Energy	-229.880074
Nuclear repulsion energy	175.934466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3370	3054	8.96
2	A₁	3152	2857	12.97
3	A₁	1827	1656	0.01
4	A₁	1659	1504	0.74
5	A₁	1537	1393	9.71
6	A₁	1210	1097	0.66
7	A₁	1051	953	22.15
8	A₁	1012	917	15.63
9	A₁	810	734	8.19
10	A₂	3166	2870	0.00
11	A₂	1335	1210	0.00
12	A₂	1171	1061	0.00
13	A₂	1068	968	0.00
14	A₂	433	393	0.00
15	B₁	3169	2872	110.32
16	B₁	1304	1182	0.95
17	B₁	1136	1030	30.63
18	B₁	758	687	40.74
19	B₁	138	125	10.20
20	B₂	3344	3031	5.52
21	B₂	3147	2852	171.66
22	B₂	1648	1494	2.09
23	B₂	1504	1363	6.73
24	B₂	1452	1316	0.50
25	B₂	1258	1140	139.43
26	B₂	978	886	0.10
27	B₂	880	798	1.90

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.169
C2	0.000	1.161	0.371
C3	0.000	0.653	-1.035
C4	0.000	-0.653	-1.035
C5	0.000	-1.161	0.371
H6	0.877	1.757	0.602
H7	-0.877	1.757	0.602
H8	-0.877	-1.757	0.602
H9	0.877	-1.757	0.602
H10	0.000	1.294	-1.893
H11	0.000	-1.294	-1.893

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4083	2.2989	2.2989	1.4083	2.0437	2.0437	2.0437	2.0437	3.3240	3.3240
C2	1.4083		1.4957	2.2960	2.3220	1.0850	1.0850	3.0553	3.0553	2.2687	3.3399
C3	2.2989	1.4957		1.3069	2.2960	2.1602	2.1602	3.0426	3.0426	1.0705	2.1277
C4	2.2989	2.2960	1.3069		1.4957	3.0426	3.0426	2.1602	2.1602	2.1277	1.0705
C5	1.4083	2.3220	2.2960	1.4957		3.0553	3.0553	1.0850	1.0850	3.3399	2.2687
H6	2.0437	1.0850	2.1602	3.0426	3.0553		1.7543	3.9269	3.5132	2.6849	4.0371
H7	2.0437	1.0850	2.1602	3.0426	3.0553	1.7543		3.5132	3.9269	2.6849	4.0371
H8	2.0437	3.0553	3.0426	2.1602	1.0850	3.9269	3.5132		1.7543	4.0371	2.6849
H9	2.0437	3.0553	3.0426	2.1602	1.0850	3.5132	3.9269	1.7543		4.0371	2.6849
H10	3.3240	2.2687	1.0705	2.1277	3.3399	2.6849	2.6849	4.0371	4.0371		2.5873
H11	3.3240	3.3399	2.1277	1.0705	2.2687	4.0371	4.0371	2.6849	2.6849	2.5873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	104.635	O1	C2	H6	109.422
O1	C2	H7	109.422	O1	C5	C4	104.635
O1	C5	H8	109.422	O1	C5	H9	109.422
C2	O1	C5	111.055	C2	C3	C4	109.838
C2	C3	H10	123.428	C3	C2	H6	112.695
C3	C2	H7	112.695	C3	C4	C5	109.838
C3	C4	H11	126.734	C4	C3	H10	126.734
C4	C5	H8	112.695	C4	C5	H9	112.695
C5	C4	H11	123.428	H6	C2	H7	107.895
H8	C5	H9	107.895

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

using model chemistry: HF/Def2TZVPP

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	-0.440
2	C	0.211
3	C	-0.147
4	C	-0.147
5	C	0.211
6	H	0.035
7	H	0.035
8	H	0.035
9	H	0.035
10	H	0.088
11	H	0.088

<r²>	92.947
(<r²>)^1/2	9.641

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

using model chemistry: HF/Def2TZVPP

States and conformations

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