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	hartrees
Energy at 0K	-231.156858
Energy at 298.15K	-231.163806
Nuclear repulsion energy	171.864699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3177	3171	6.29
2	A	3152	3146	1.25
3	A	3037	3031	32.58
4	A	2983	2977	55.78
5	A	2969	2963	17.76
6	A	2937	2932	47.98
7	A	1607	1604	62.66
8	A	1465	1462	0.63
9	A	1445	1443	0.36
10	A	1341	1338	3.54
11	A	1266	1264	0.99
12	A	1245	1242	8.57
13	A	1198	1196	4.84
14	A	1155	1153	3.72
15	A	1110	1108	38.83
16	A	1037	1035	11.18
17	A	1024	1022	57.37
18	A	963	962	2.53
19	A	897	896	23.45
20	A	864	862	30.70
21	A	852	850	7.64
22	A	809	807	6.70
23	A	803	801	3.93
24	A	671	670	8.64
25	A	661	660	38.30
26	A	440	440	18.64
27	A	66	65	0.77

Atom	x (Å)	y (Å)	z (Å)
H1	0.964	2.140	0.061
C2	0.529	1.138	0.032
H3	2.299	-0.198	0.014
C4	1.220	-0.019	0.007
O5	0.451	-1.170	-0.050
H6	-1.410	1.184	-0.994
H7	-1.541	1.285	0.780
C8	-0.963	0.826	-0.045
H9	-1.512	-1.232	-0.763
H10	-1.341	-1.097	1.025
C11	-0.964	-0.732	0.052

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0925	2.6924	2.1749	3.3507	2.7679	2.7428	2.3345	4.2639	4.0885	3.4585
C2	1.0925		2.2175	1.3480	2.3104	2.1941	2.2060	1.5260	3.2275	3.0784	2.3926
H3	2.6924	2.2175		1.0940	2.0886	4.0845	4.1868	3.4191	4.0249	3.8828	3.3063
C4	2.1749	1.3480	1.0940		1.3844	3.0603	3.1494	2.3409	3.0866	2.9584	2.2970
O5	3.3507	2.3104	2.0886	1.3844		3.1457	3.2682	2.4457	2.0901	2.0910	1.4848
H6	2.7679	2.1941	4.0845	3.0603	3.1457		1.7814	1.1089	2.4293	3.0466	2.2277
H7	2.7428	2.2060	4.1868	3.1494	3.2682	1.7814		1.1066	2.9524	2.4022	2.2201
C8	2.3345	1.5260	3.4191	2.3409	2.4457	1.1089	1.1066		2.2481	2.2321	1.5605
H9	4.2639	3.2275	4.0249	3.0866	2.0901	2.4293	2.9524	2.2481		1.8016	1.1027
H10	4.0885	3.0784	3.8828	2.9584	2.0910	3.0466	2.4022	2.2321	1.8016		1.1056
C11	3.4585	2.3926	3.3063	2.2970	1.4848	2.2277	2.2201	1.5605	1.1027	1.1056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.725	H1	C2	C8	125.316
C2	C4	H3	130.193	C2	C4	O5	115.459
C2	C8	H6	111.772	C2	C8	H7	112.883
C2	C8	C11	101.638	H3	C4	O5	114.345
C4	C2	C8	108.918	C4	O5	C11	106.321
O5	C11	C8	106.832	O5	C11	H9	106.831
O5	C11	H10	106.739	H6	C8	H7	107.042
H6	C8	C11	112.026	H7	C8	C11	111.565
C8	C11	H9	114.058	C8	C11	H10	112.582
H9	C11	H10	109.345

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)

using model chemistry: BLYP/aug-cc-pVDZ

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	H	-0.630
2	C	0.917
3	H	-0.613
4	C	0.461
5	O	-0.491
6	H	-0.461
7	H	-0.443
8	C	0.978
9	H	-0.534
10	H	-0.529
11	C	1.346

	x	y	z	Total
	-0.910	0.864	0.056	1.256
CHELPG
AIM
ESP

	x	y	z
x	8.850	-0.162	0.028
y	-0.162	8.859	-0.014
z	0.028	-0.014	6.389

<r²>	96.917
(<r²>)^1/2	9.845

All results from a given calculation for C4H6O (Furan, 2,3-dihydro-)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)