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	hartrees
Energy at 0K	-231.049332
Energy at 298.15K	-231.056549
HF Energy	-231.049332
Nuclear repulsion energy	175.024057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3240	3114	6.38
2	A₁	2993	2877	7.64
3	A₁	1706	1639	0.02
4	A₁	1521	1462	1.82
5	A₁	1398	1344	2.96
6	A₁	1119	1076	1.46
7	A₁	1008	969	8.09
8	A₁	939	902	19.74
9	A₁	763	734	7.11
10	A₂	3007	2890	0.00
11	A₂	1231	1183	0.00
12	A₂	1064	1023	0.00
13	A₂	963	925	0.00
14	A₂	405	389	0.00
15	B₁	3009	2892	89.37
16	B₁	1185	1139	2.64
17	B₁	1028	988	17.02
18	B₁	683	656	36.74
19	B₁	113	109	7.09
20	B₂	3215	3090	2.47
21	B₂	2988	2872	152.28
22	B₂	1510	1451	0.39
23	B₂	1381	1327	3.33
24	B₂	1329	1277	0.44
25	B₂	1147	1102	107.69
26	B₂	932	896	0.47
27	B₂	821	789	1.92

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.178
C2	0.000	1.164	0.372
C3	0.000	0.661	-1.038
C4	0.000	-0.661	-1.038
C5	0.000	-1.164	0.372
H6	0.885	1.775	0.592
H7	-0.885	1.775	0.592
H8	-0.885	-1.775	0.592
H9	0.885	-1.775	0.592
H10	0.000	1.311	-1.902
H11	0.000	-1.311	-1.902

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4157	2.3128	2.3128	1.4157	2.0687	2.0687	2.0687	2.0687	3.3478	3.3478
C2	1.4157		1.4969	2.3062	2.3274	1.0979	1.0979	3.0773	3.0773	2.2790	3.3611
C3	2.3128	1.4969		1.3223	2.3062	2.1633	2.1633	3.0619	3.0619	1.0813	2.1533
C4	2.3128	2.3062	1.3223		1.4969	3.0619	3.0619	2.1633	2.1633	2.1533	1.0813
C5	1.4157	2.3274	2.3062	1.4969		3.0773	3.0773	1.0979	1.0979	3.3611	2.2790
H6	2.0687	1.0979	2.1633	3.0619	3.0773		1.7698	3.9675	3.5509	2.6864	4.0655
H7	2.0687	1.0979	2.1633	3.0619	3.0773	1.7698		3.5509	3.9675	2.6864	4.0655
H8	2.0687	3.0773	3.0619	2.1633	1.0979	3.9675	3.5509		1.7698	4.0655	2.6864
H9	2.0687	3.0773	3.0619	2.1633	1.0979	3.5509	3.9675	1.7698		4.0655	2.6864
H10	3.3478	2.2790	1.0813	2.1533	3.3611	2.6864	2.6864	4.0655	4.0655		2.6222
H11	3.3478	3.3611	2.1533	1.0813	2.2790	4.0655	4.0655	2.6864	2.6864	2.6222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.098	O1	C2	H6	110.135
O1	C2	H7	110.135	O1	C5	C4	105.098
O1	C5	H8	110.135	O1	C5	H9	110.135
C2	O1	C5	110.572	C2	C3	C4	109.616
C2	C3	H10	123.437	C3	C2	H6	112.042
C3	C2	H7	112.042	C3	C4	C5	109.616
C3	C4	H11	126.948	C4	C3	H10	126.948
C4	C5	H8	112.042	C4	C5	H9	112.042
C5	C4	H11	123.437	H6	C2	H7	107.409
H8	C5	H9	107.409

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.298
2	C	0.064
3	C	-0.177
4	C	-0.177
5	C	0.064
6	H	0.069
7	H	0.069
8	H	0.069
9	H	0.069
10	H	0.124
11	H	0.124

<r²>	93.502
(<r²>)^1/2	9.670

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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