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	hartrees
Energy at 0K	-228.290122
Energy at 298.15K	-228.296941
Nuclear repulsion energy	169.865367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3496	3120	0.97
2	A'	3317	2960	17.65
3	A'	3231	2883	1.34
4	A'	1824	1628	0.23
5	A'	1674	1494	0.16
6	A'	1472	1314	0.53
7	A'	1223	1092	0.12
8	A'	1175	1048	0.09
9	A'	1058	944	5.93
10	A'	1048	936	2.90
11	A'	943	842	0.43
12	A'	762	680	0.91
13	A'	715	638	18.57
14	A'	51	46	5.87
15	A"	3461	3088	17.85
16	A"	3313	2956	0.34
17	A"	3224	2877	28.90
18	A"	1663	1484	4.73
19	A"	1448	1292	2.25
20	A"	1386	1237	0.09
21	A"	1262	1126	0.01
22	A"	1205	1075	23.71
23	A"	1095	977	0.00
24	A"	1004	896	0.00
25	A"	983	877	0.11
26	A"	832	742	0.12
27	A"	397	354	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	0.067	-1.257	0.000
C2	-0.013	-0.368	1.189
C3	-0.013	1.077	0.667
C4	-0.013	1.077	-0.667
C5	-0.013	-0.368	-1.189
H6	0.854	-0.574	1.860
H7	-0.940	-0.593	1.774
H8	-0.940	-0.593	-1.774
H9	0.854	-0.574	-1.860
H10	-0.019	1.945	1.338
H11	-0.019	1.945	-1.338

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4866	2.4291	2.4291	1.4866	2.1323	2.1449	2.1449	2.1323	3.4718	3.4718
C2	1.4866		1.5363	2.3524	2.3775	1.1159	1.1181	3.1118	3.1765	2.3184	3.4257
C3	2.4291	1.5363		1.3349	2.3524	2.2136	2.2064	3.0989	3.1411	1.0970	2.1850
C4	2.4291	2.3524	1.3349		1.5363	3.1411	3.0989	2.2064	2.2136	2.1850	1.0970
C5	1.4866	2.3775	2.3524	1.5363		3.1765	3.1118	1.1181	1.1159	3.4257	2.3184
H6	2.1323	1.1159	2.2136	3.1411	3.1765		1.7957	4.0523	3.7204	2.7169	4.1635
H7	2.1449	1.1181	2.2064	3.0989	3.1118	1.7957		3.5471	4.0523	2.7345	4.1191
H8	2.1449	3.1118	3.0989	2.2064	1.1181	4.0523	3.5471		1.7957	4.1191	2.7345
H9	2.1323	3.1765	3.1411	2.2136	1.1159	3.7204	4.0523	1.7957		4.1635	2.7169
H10	3.4718	2.3184	1.0970	2.1850	3.4257	2.7169	2.7345	4.1191	4.1635		2.6753
H11	3.4718	3.4257	2.1850	1.0970	2.3184	4.1635	4.1191	2.7345	2.7169	2.6753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	106.932	O1	C2	H6	109.208
O1	C2	H7	110.061	O1	C5	C4	106.932
O1	C5	H8	110.061	O1	C5	H9	109.208
C2	O1	C5	106.192	C2	C3	C4	109.835
C2	C3	H10	122.504	C3	C2	H6	112.184
C3	C2	H7	111.473	C3	C4	C5	109.835
C3	C4	H11	127.659	C4	C3	H10	127.659
C4	C5	H8	111.473	C4	C5	H9	112.184
C5	C4	H11	122.504	H6	C2	H7	106.985
H8	C5	H9	106.985

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

using model chemistry: B3LYP/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	-0.194
2	C	-0.050
3	C	-0.088
4	C	-0.088
5	C	-0.050
6	H	0.076
7	H	0.074
8	H	0.074
9	H	0.076
10	H	0.084
11	H	0.084

	x	y	z	Total
	-0.120	1.349	0.000	1.355
CHELPG
AIM
ESP

	x	y	z
x	2.037	-0.014	0.000
y	-0.014	3.372	0.000
z	0.000	0.000	5.419

<r²>	96.685
(<r²>)^1/2	9.833

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

using model chemistry: B3LYP/STO-3G

States and conformations

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