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	hartrees
Energy at 0K	-231.210433
Energy at 298.15K	-231.217492
Nuclear repulsion energy	172.733448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3139	3130	11.46
2	A₁	2895	2886	8.68
3	A₁	1624	1620	0.05
4	A₁	1483	1479	1.19
5	A₁	1342	1338	2.73
6	A₁	1091	1088	1.23
7	A₁	957	954	6.15
8	A₁	848	845	17.78
9	A₁	729	727	6.77
10	A₂	2897	2888	0.00
11	A₂	1182	1179	0.00
12	A₂	1030	1027	0.00
13	A₂	918	916	0.00
14	A₂	391	390	0.00
15	B₁	2898	2889	106.07
16	B₁	1134	1130	4.11
17	B₁	994	991	13.29
18	B₁	654	652	33.11
19	B₁	114	114	6.24
20	B₂	3117	3107	4.93
21	B₂	2889	2880	167.12
22	B₂	1473	1469	1.93
23	B₂	1327	1323	2.34
24	B₂	1293	1289	0.01
25	B₂	1023	1020	89.80
26	B₂	885	882	0.03
27	B₂	784	782	6.07

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.204
C2	0.000	1.185	0.367
C3	0.000	0.667	-1.048
C4	0.000	-0.667	-1.048
C5	0.000	-1.185	0.367
H6	0.890	1.798	0.596
H7	-0.890	1.798	0.596
H8	-0.890	-1.798	0.596
H9	0.890	-1.798	0.596
H10	0.000	1.316	-1.920
H11	0.000	-1.316	-1.920

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4504	2.3492	2.3492	1.4504	2.0959	2.0959	2.0959	2.0959	3.3899	3.3899
C2	1.4504		1.5071	2.3309	2.3691	1.1044	1.1044	3.1204	3.1204	2.2910	3.3885
C3	2.3492	1.5071		1.3345	2.3309	2.1845	2.1845	3.0935	3.0935	1.0864	2.1660
C4	2.3492	2.3309	1.3345		1.5071	3.0935	3.0935	2.1845	2.1845	2.1660	1.0864
C5	1.4504	2.3691	2.3309	1.5071		3.1204	3.1204	1.1044	1.1044	3.3885	2.2910
H6	2.0959	1.1044	2.1845	3.0935	3.1204		1.7796	4.0114	3.5950	2.7117	4.1003
H7	2.0959	1.1044	2.1845	3.0935	3.1204	1.7796		3.5950	4.0114	2.7117	4.1003
H8	2.0959	3.1204	3.0935	2.1845	1.1044	4.0114	3.5950		1.7796	4.1003	2.7117
H9	2.0959	3.1204	3.0935	2.1845	1.1044	3.5950	4.0114	1.7796		4.1003	2.7117
H10	3.3899	2.2910	1.0864	2.1660	3.3885	2.7117	2.7117	4.1003	4.1003		2.6312
H11	3.3899	3.3885	2.1660	1.0864	2.2910	4.1003	4.1003	2.7117	2.7117	2.6312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.169	O1	C2	H6	109.504
O1	C2	H7	109.504	O1	C5	C4	105.169
O1	C5	H8	109.504	O1	C5	H9	109.504
C2	O1	C5	109.513	C2	C3	C4	110.074
C2	C3	H10	123.287	C3	C2	H6	112.636
C3	C2	H7	112.636	C3	C4	C5	110.074
C3	C4	H11	126.639	C4	C3	H10	126.639
C4	C5	H8	112.636	C4	C5	H9	112.636
C5	C4	H11	123.287	H6	C2	H7	107.353
H8	C5	H9	107.353

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

using model chemistry: BLYP/cc-pVTZ

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	-0.310
2	C	0.066
3	C	-0.135
4	C	-0.135
5	C	0.066
6	H	0.063
7	H	0.063
8	H	0.063
9	H	0.063
10	H	0.099
11	H	0.099

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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