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	hartrees
Energy at 0K	-229.946597
Energy at 298.15K	-229.953768
Nuclear repulsion energy	171.596328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3253	3139	6.76
2	A₁	3017	2911	9.77
3	A₁	1691	1631	0.37
4	A₁	1583	1527	0.35
5	A₁	1376	1327	0.01
6	A₁	1156	1116	1.51
7	A₁	969	935	6.43
8	A₁	858	828	8.84
9	A₁	739	713	6.00
10	A₂	3032	2926	0.00
11	A₂	1214	1172	0.00
12	A₂	1081	1043	0.00
13	A₂	976	942	0.00
14	A₂	391	377	0.00
15	B₁	3038	2931	100.52
16	B₁	1171	1130	10.31
17	B₁	1021	985	9.82
18	B₁	700	675	42.02
19	B₁	131	126	9.87
20	B₂	3226	3113	1.40
21	B₂	3010	2904	117.20
22	B₂	1569	1514	2.85
23	B₂	1373	1325	3.26
24	B₂	1333	1286	0.75
25	B₂	1054	1017	71.81
26	B₂	898	867	0.05
27	B₂	814	786	3.95

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.226
C2	0.000	1.198	0.366
C3	0.000	0.665	-1.055
C4	0.000	-0.665	-1.055
C5	0.000	-1.198	0.366
H6	0.892	1.805	0.576
H7	-0.892	1.805	0.576
H8	-0.892	-1.805	0.576
H9	0.892	-1.805	0.576
H10	0.000	1.313	-1.921
H11	0.000	-1.313	-1.921

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4753	2.3759	2.3759	1.4753	2.1158	2.1158	2.1158	2.1158	3.4098	3.4098
C2	1.4753		1.5169	2.3430	2.3964	1.0988	1.0988	3.1399	3.1399	2.2891	3.3959
C3	2.3759	1.5169		1.3307	2.3430	2.1798	2.1798	3.0912	3.0912	1.0814	2.1595
C4	2.3759	2.3430	1.3307		1.5169	3.0912	3.0912	2.1798	2.1798	2.1595	1.0814
C5	1.4753	2.3964	2.3430	1.5169		3.1399	3.1399	1.0988	1.0988	3.3959	2.2891
H6	2.1158	1.0988	2.1798	3.0912	3.1399		1.7833	4.0266	3.6102	2.6961	4.0924
H7	2.1158	1.0988	2.1798	3.0912	3.1399	1.7833		3.6102	4.0266	2.6961	4.0924
H8	2.1158	3.1399	3.0912	2.1798	1.0988	4.0266	3.6102		1.7833	4.0924	2.6961
H9	2.1158	3.1399	3.0912	2.1798	1.0988	3.6102	4.0266	1.7833		4.0924	2.6961
H10	3.4098	2.2891	1.0814	2.1595	3.3959	2.6961	2.6961	4.0924	4.0924		2.6257
H11	3.4098	3.3959	2.1595	1.0814	2.2891	4.0924	4.0924	2.6961	2.6961	2.6257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.124	O1	C2	H6	109.696
O1	C2	H7	109.696	O1	C5	C4	105.124
O1	C5	H8	109.696	O1	C5	H9	109.696
C2	O1	C5	108.620	C2	C3	C4	110.566
C2	C3	H10	122.650	C3	C2	H6	111.901
C3	C2	H7	111.901	C3	C4	C5	110.566
C3	C4	H11	126.784	C4	C3	H10	126.784
C4	C5	H8	111.901	C4	C5	H9	111.901
C5	C4	H11	122.650	H6	C2	H7	108.473
H8	C5	H9	108.473

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

using model chemistry: B3LYP/3-21G

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	-0.481
2	C	-0.148
3	C	-0.202
4	C	-0.202
5	C	-0.148
6	H	0.199
7	H	0.199
8	H	0.199
9	H	0.199
10	H	0.192
11	H	0.192

<r²>	96.347
(<r²>)^1/2	9.816

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

using model chemistry: B3LYP/3-21G

States and conformations

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