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	hartrees
Energy at 0K	-228.946091
Energy at 298.15K	-228.953359
Nuclear repulsion energy	171.680008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3317	3122	5.71
2	A₁	3119	2936	11.22
3	A₁	1748	1645	0.75
4	A₁	1645	1548	0.04
5	A₁	1431	1347	0.18
6	A₁	1200	1129	1.38
7	A₁	980	923	7.90
8	A₁	896	844	10.84
9	A₁	757	712	6.68
10	A₂	3144	2959	0.00
11	A₂	1261	1187	0.00
12	A₂	1132	1066	0.00
13	A₂	1008	948	0.00
14	A₂	400	376	0.00
15	B₁	3149	2964	87.88
16	B₁	1224	1152	7.92
17	B₁	1081	1018	19.25
18	B₁	731	688	42.08
19	B₁	123	116	12.21
20	B₂	3287	3094	1.31
21	B₂	3113	2930	90.35
22	B₂	1633	1537	3.53
23	B₂	1422	1338	4.36
24	B₂	1388	1306	0.96
25	B₂	1117	1052	77.27
26	B₂	914	861	0.10
27	B₂	840	791	1.81

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.221
C2	0.000	1.201	0.370
C3	0.000	0.664	-1.057
C4	0.000	-0.664	-1.057
C5	0.000	-1.201	0.370
H6	0.890	1.799	0.582
H7	-0.890	1.799	0.582
H8	-0.890	-1.799	0.582
H9	0.890	-1.799	0.582
H10	0.000	1.310	-1.921
H11	0.000	-1.310	-1.921

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4722	2.3725	2.3725	1.4722	2.1058	2.1058	2.1058	2.1058	3.4035	3.4035
C2	1.4722		1.5247	2.3481	2.4026	1.0925	1.0925	3.1362	3.1362	2.2929	3.3988
C3	2.3725	1.5247		1.3272	2.3481	2.1832	2.1832	3.0887	3.0887	1.0787	2.1542
C4	2.3725	2.3481	1.3272		1.5247	3.0887	3.0887	2.1832	2.1832	2.1542	1.0787
C5	1.4722	2.4026	2.3481	1.5247		3.1362	3.1362	1.0925	1.0925	3.3988	2.2929
H6	2.1058	1.0925	2.1832	3.0887	3.1362		1.7796	4.0131	3.5970	2.7007	4.0887
H7	2.1058	1.0925	2.1832	3.0887	3.1362	1.7796		3.5970	4.0131	2.7007	4.0887
H8	2.1058	3.1362	3.0887	2.1832	1.0925	4.0131	3.5970		1.7796	4.0887	2.7007
H9	2.1058	3.1362	3.0887	2.1832	1.0925	3.5970	4.0131	1.7796		4.0887	2.7007
H10	3.4035	2.2929	1.0787	2.1542	3.3988	2.7007	2.7007	4.0887	4.0887		2.6199
H11	3.4035	3.3988	2.1542	1.0787	2.2929	4.0887	4.0887	2.7007	2.7007	2.6199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	104.664	O1	C2	H6	109.493
O1	C2	H7	109.493	O1	C5	C4	104.664
O1	C5	H8	109.493	O1	C5	H9	109.493
C2	O1	C5	109.371	C2	C3	C4	110.651
C2	C3	H10	122.535	C3	C2	H6	112.006
C3	C2	H7	112.006	C3	C4	C5	110.651
C3	C4	H11	126.814	C4	C3	H10	126.814
C4	C5	H8	112.006	C4	C5	H9	112.006
C5	C4	H11	122.535	H6	C2	H7	109.072
H8	C5	H9	109.072

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

using model chemistry: CISD/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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