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	hartrees
Energy at 0K	-41.111666
Energy at 298.15K	-41.119053
Nuclear repulsion energy	94.330466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3391	3063	15.16
2	A₁	3188	2880	18.63
3	A₁	1812	1637	0.07
4	A₁	1673	1511	0.43
5	A₁	1544	1395	19.54
6	A₁	1202	1086	0.71
7	A₁	1050	949	27.99
8	A₁	1007	909	15.30
9	A₁	800	723	8.07
10	A₂	3213	2903	0.00
11	A₂	1329	1200	0.00
12	A₂	1162	1050	0.00
13	A₂	1052	950	0.00
14	A₂	414	374	0.00
15	B₁	3217	2906	155.37
16	B₁	1296	1171	1.68
17	B₁	1134	1024	37.87
18	B₁	749	677	45.68
19	B₁	111	100	11.21
20	B₂	3365	3040	9.66
21	B₂	3182	2875	193.95
22	B₂	1661	1500	5.89
23	B₂	1505	1359	2.40
24	B₂	1441	1302	0.07
25	B₂	1261	1139	143.95
26	B₂	978	884	0.02
27	B₂	869	785	1.78

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.178
C2	0.000	1.169	0.378
C3	0.000	0.661	-1.047
C4	0.000	-0.661	-1.047
C5	0.000	-1.169	0.378
H6	0.881	1.768	0.605
H7	-0.881	1.768	0.605
H8	-0.881	-1.768	0.605
H9	0.881	-1.768	0.605
H10	0.000	1.309	-1.907
H11	0.000	-1.309	-1.907

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4162	2.3212	2.3212	1.4162	2.0567	2.0567	2.0567	2.0567	3.3505	3.3505
C2	1.4162		1.5138	2.3195	2.3379	1.0891	1.0891	3.0747	3.0747	2.2892	3.3704
C3	2.3212	1.5138		1.3210	2.3195	2.1757	2.1757	3.0668	3.0668	1.0762	2.1485
C4	2.3212	2.3195	1.3210		1.5138	3.0668	3.0668	2.1757	2.1757	2.1485	1.0762
C5	1.4162	2.3379	2.3195	1.5138		3.0747	3.0747	1.0891	1.0891	3.3704	2.2892
H6	2.0567	1.0891	2.1757	3.0668	3.0747		1.7616	3.9507	3.5362	2.7010	4.0683
H7	2.0567	1.0891	2.1757	3.0668	3.0747	1.7616		3.5362	3.9507	2.7010	4.0683
H8	2.0567	3.0747	3.0668	2.1757	1.0891	3.9507	3.5362		1.7616	4.0683	2.7010
H9	2.0567	3.0747	3.0668	2.1757	1.0891	3.5362	3.9507	1.7616		4.0683	2.7010
H10	3.3505	2.2892	1.0762	2.1485	3.3704	2.7010	2.7010	4.0683	4.0683		2.6174
H11	3.3505	3.3704	2.1485	1.0762	2.2892	4.0683	4.0683	2.7010	2.7010	2.6174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	104.741	O1	C2	H6	109.666
O1	C2	H7	109.666	O1	C5	C4	104.741
O1	C5	H8	109.666	O1	C5	H9	109.666
C2	O1	C5	111.266	C2	C3	C4	109.626
C2	C3	H10	123.339	C3	C2	H6	112.388
C3	C2	H7	112.388	C3	C4	C5	109.626
C3	C4	H11	127.035	C4	C3	H10	127.035
C4	C5	H8	112.388	C4	C5	H9	112.388
C5	C4	H11	123.339	H6	C2	H7	107.945
H8	C5	H9	107.945

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

using model chemistry: HF/CEP-121G*

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	-0.419
2	C	-0.097
3	C	-0.218
4	C	-0.218
5	C	-0.097
6	H	0.147
7	H	0.147
8	H	0.147
9	H	0.147
10	H	0.231
11	H	0.231

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/CEP-121G*

States and conformations

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