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	hartrees
Energy at 0K	-231.176891
Energy at 298.15K	-231.184043
Nuclear repulsion energy	174.458890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3270	3113	6.51
2	A₁	3026	2880	5.46
3	A₁	1714	1631	0.10
4	A₁	1532	1458	2.34
5	A₁	1405	1338	4.88
6	A₁	1125	1071	1.38
7	A₁	1010	961	8.97
8	A₁	938	892	24.54
9	A₁	760	724	6.69
10	A₂	3048	2902	0.00
11	A₂	1232	1173	0.00
12	A₂	1065	1013	0.00
13	A₂	957	910	0.00
14	A₂	395	376	0.00
15	B₁	3050	2903	82.36
16	B₁	1187	1130	2.84
17	B₁	1031	981	21.15
18	B₁	682	649	46.18
19	B₁	94	89	10.83
20	B₂	3247	3090	2.46
21	B₂	3020	2875	147.41
22	B₂	1521	1448	0.64
23	B₂	1389	1322	3.34
24	B₂	1333	1269	0.33
25	B₂	1155	1099	106.02
26	B₂	937	892	0.38
27	B₂	816	776	1.65

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.182
C2	0.000	1.169	0.370
C3	0.000	0.665	-1.040
C4	0.000	-0.665	-1.040
C5	0.000	-1.169	0.370
H6	0.887	1.777	0.600
H7	-0.887	1.777	0.600
H8	-0.887	-1.777	0.600
H9	0.887	-1.777	0.600
H10	0.000	1.314	-1.907
H11	0.000	-1.314	-1.907

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4233	2.3196	2.3196	1.4233	2.0695	2.0695	2.0695	2.0695	3.3572	3.3572
C2	1.4233		1.4977	2.3138	2.3381	1.0994	1.0994	3.0851	3.0851	2.2821	3.3695
C3	2.3196	1.4977		1.3303	2.3138	2.1708	2.1708	3.0724	3.0724	1.0831	2.1609
C4	2.3196	2.3138	1.3303		1.4977	3.0724	3.0724	2.1708	2.1708	2.1609	1.0831
C5	1.4233	2.3381	2.3138	1.4977		3.0851	3.0851	1.0994	1.0994	3.3695	2.2821
H6	2.0695	1.0994	2.1708	3.0724	3.0851		1.7737	3.9718	3.5538	2.6993	4.0776
H7	2.0695	1.0994	2.1708	3.0724	3.0851	1.7737		3.5538	3.9718	2.6993	4.0776
H8	2.0695	3.0851	3.0724	2.1708	1.0994	3.9718	3.5538		1.7737	4.0776	2.6993
H9	2.0695	3.0851	3.0724	2.1708	1.0994	3.5538	3.9718	1.7737		4.0776	2.6993
H10	3.3572	2.2821	1.0831	2.1609	3.3695	2.6993	2.6993	4.0776	4.0776		2.6284
H11	3.3572	3.3695	2.1609	1.0831	2.2821	4.0776	4.0776	2.6993	2.6993	2.6284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.117	O1	C2	H6	109.571
O1	C2	H7	109.571	O1	C5	C4	105.117
O1	C5	H8	109.571	O1	C5	H9	109.571
C2	O1	C5	110.447	C2	C3	C4	109.660
C2	C3	H10	123.525	C3	C2	H6	112.501
C3	C2	H7	112.501	C3	C4	C5	109.660
C3	C4	H11	126.815	C4	C3	H10	126.815
C4	C5	H8	112.501	C4	C5	H9	112.501
C5	C4	H11	123.525	H6	C2	H7	107.542
H8	C5	H9	107.542

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

using model chemistry: mPW1PW91/6-31+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	-0.328
2	C	-0.279
3	C	-0.039
4	C	-0.039
5	C	-0.279
6	H	0.158
7	H	0.158
8	H	0.158
9	H	0.158
10	H	0.166
11	H	0.166

<r²>	94.106
(<r²>)^1/2	9.701

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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