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	hartrees
Energy at 0K	-230.963755
Energy at 298.15K	-230.970942
HF Energy	-230.735679
Nuclear repulsion energy	174.054527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3300	3132	8.58
2	A	3276	3109	2.32
3	A	3167	3006	36.32
4	A	3117	2958	34.93
5	A	3091	2934	37.89
6	A	3065	2909	42.26
7	A	1701	1614	51.87
8	A	1567	1488	0.09
9	A	1545	1467	0.23
10	A	1437	1364	2.94
11	A	1354	1285	3.44
12	A	1335	1267	6.91
13	A	1270	1206	8.86
14	A	1234	1171	8.62
15	A	1187	1127	56.93
16	A	1111	1055	37.41
17	A	1096	1041	22.29
18	A	1025	973	4.85
19	A	952	904	11.61
20	A	951	902	38.61
21	A	908	862	3.51
22	A	862	818	5.04
23	A	843	800	5.03
24	A	724	687	31.13
25	A	689	654	2.25
26	A	452	429	22.57
27	A	111	105	1.69

Atom	x (Å)	y (Å)	z (Å)
H1	0.934	1.909	0.541
C2	0.546	1.042	0.137
H3	2.239	-0.211	0.056
C4	1.195	-0.110	-0.001
O5	0.308	-1.163	-0.205
H6	-0.875	0.672	-1.346
H7	-1.545	1.550	0.068
C8	-0.825	0.809	-0.262
H9	-1.904	-1.057	-0.049
H10	-0.965	-0.553	1.385
C11	-0.973	-0.576	0.290

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0319	2.5368	2.1068	3.2226	2.8920	2.5494	2.2249	4.1473	3.2223	3.1430
C2	1.0319		2.1080	1.3293	2.2440	2.0875	2.1532	1.4473	3.2318	2.5269	2.2252
H3	2.5368	2.1080		1.0509	2.1685	3.5277	4.1738	3.2451	4.2296	3.4850	3.2410
C4	2.1068	1.3293	1.0509		1.3915	2.5891	3.2039	2.2341	3.2404	2.6041	2.2363
O5	3.2226	2.2440	2.1685	1.3915		2.4632	3.2961	2.2745	2.2198	2.1255	1.4930
H6	2.8920	2.0875	3.5277	2.5891	2.4632		1.7935	1.0937	2.3935	2.9945	2.0604
H7	2.5494	2.1532	4.1738	3.2039	3.2961	1.7935		1.0844	2.6337	2.5487	2.2131
C8	2.2249	1.4473	3.2451	2.2341	2.2745	1.0937	1.0844		2.1655	2.1417	1.4985
H9	4.1473	3.2318	4.2296	3.2404	2.2198	2.3935	2.6337	2.1655		1.7866	1.1012
H10	3.2223	2.5269	3.4850	2.6041	2.1255	2.9945	2.5487	2.1417	1.7866		1.0950
C11	3.1430	2.2252	3.2410	2.2363	1.4930	2.0604	2.2131	1.4985	1.1012	1.0950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.857	H1	C2	C8	126.831
C2	C4	H3	124.250	C2	C4	O5	111.110
C2	C8	H6	109.689	C2	C8	H7	115.789
C2	C8	C11	98.102	H3	C4	O5	124.628
C4	C2	C8	107.071	C4	O5	C11	101.605
O5	C11	C8	98.985	O5	C11	H9	116.860
O5	C11	H10	109.474	H6	C8	H7	110.856
H6	C8	C11	104.188	H7	C8	C11	117.024
C8	C11	H9	111.903	C8	C11	H10	110.372
H9	C11	H10	108.882

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

using model chemistry: B2PLYP/6-31G*

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	0.161
2	C	-0.242
3	H	0.174
4	C	0.160
5	O	-0.538
6	H	0.163
7	H	0.162
8	C	-0.342
9	H	0.164
10	H	0.159
11	C	-0.021

	x	y	z
x	6.840	-0.198	0.043
y	-0.198	6.857	0.016
z	0.043	0.016	4.234

<r²>	94.148
(<r²>)^1/2	9.703

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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