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	hartrees
Energy at 0K	-228.012303
Energy at 298.15K	-228.019051
Nuclear repulsion energy	169.372896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3429	3133	0.76
2	A'	3231	2952	17.79
3	A'	3140	2868	5.97
4	A'	1775	1621	0.26
5	A'	1629	1488	0.45
6	A'	1430	1306	0.26
7	A'	1188	1085	0.50
8	A'	1143	1044	0.27
9	A'	1038	948	2.73
10	A'	1023	934	4.00
11	A'	917	837	0.90
12	A'	742	678	1.74
13	A'	686	627	20.56
14	A'	73	66	5.41
15	A"	3395	3102	15.50
16	A"	3226	2948	1.82
17	A"	3130	2859	38.79
18	A"	1618	1478	4.45
19	A"	1411	1289	2.10
20	A"	1343	1227	0.03
21	A"	1226	1120	0.07
22	A"	1154	1055	25.19
23	A"	1064	972	0.01
24	A"	964	880	0.21
25	A"	962	878	0.07
26	A"	808	739	0.33
27	A"	388	354	0.02

Atom	x (Å)	y (Å)	z (Å)
O1	0.139	-1.258	0.000
C2	-0.028	-0.368	1.188
C3	-0.028	1.077	0.672
C4	-0.028	1.077	-0.672
C5	-0.028	-0.368	-1.188
H6	0.809	-0.570	1.908
H7	-0.987	-0.603	1.731
H8	-0.987	-0.603	-1.731
H9	0.809	-0.570	-1.908
H10	-0.045	1.952	1.343
H11	-0.045	1.952	-1.343

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4930	2.4350	2.4350	1.4930	2.1356	2.1656	2.1656	2.1356	3.4840	3.4840
C2	1.4930		1.5347	2.3552	2.3754	1.1222	1.1265	3.0807	3.2130	2.3256	3.4334
C3	2.4350	1.5347		1.3436	2.3552	2.2230	2.2055	3.0846	3.1731	1.1028	2.1965
C4	2.4350	2.3552	1.3436		1.5347	3.1731	3.0846	2.2055	2.2230	2.1965	1.1028
C5	1.4930	2.3754	2.3552	1.5347		3.2130	3.0807	1.1265	1.1222	3.4334	2.3256
H6	2.1356	1.1222	2.2230	3.1731	3.2130		1.8042	4.0574	3.8160	2.7222	4.2023
H7	2.1656	1.1265	2.2055	3.0846	3.0807	1.8042		3.4612	4.0574	2.7507	4.1064
H8	2.1656	3.0807	3.0846	2.2055	1.1265	4.0574	3.4612		1.8042	4.1064	2.7507
H9	2.1356	3.2130	3.1731	2.2230	1.1222	3.8160	4.0574	1.8042		4.2023	2.7222
H10	3.4840	2.3256	1.1028	2.1965	3.4334	2.7222	2.7507	4.1064	4.2023		2.6858
H11	3.4840	3.4334	2.1965	1.1028	2.3256	4.2023	4.1064	2.7507	2.7222	2.6858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	107.066	O1	C2	H6	108.665
O1	C2	H7	110.750	O1	C5	C4	107.066
O1	C5	H8	110.750	O1	C5	H9	108.665
C2	O1	C5	105.405	C2	C3	C4	109.643
C2	C3	H10	122.862	C3	C2	H6	112.663
C3	C2	H7	111.011	C3	C4	C5	109.643
C3	C4	H11	127.485	C4	C3	H10	127.485
C4	C5	H8	111.011	C4	C5	H9	112.663
C5	C4	H11	122.862	H6	C2	H7	106.703
H8	C5	H9	106.703

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

using model chemistry: PBEPBE/STO-3G

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	-0.170
2	C	-0.068
3	C	-0.095
4	C	-0.095
5	C	-0.068
6	H	0.082
7	H	0.077
8	H	0.077
9	H	0.082
10	H	0.089
11	H	0.089

	x	y	z	Total
	-0.238	1.228	0.000	1.251
CHELPG
AIM
ESP

	x	y	z
x	2.050	-0.038	0.000
y	-0.038	3.433	0.000
z	0.000	0.000	5.445

<r²>	96.967
(<r²>)^1/2	9.847

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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