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	hartrees
Energy at 0K	-229.848193
Energy at 298.15K	-229.855286
Nuclear repulsion energy	172.393580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3312	3169	3.87
2	A	3279	3137	1.12
3	A	3165	3028	30.14
4	A	3116	2981	17.42
5	A	3104	2969	27.35
6	A	3075	2942	28.71
7	A	1690	1617	37.92
8	A	1562	1495	0.99
9	A	1537	1471	0.64
10	A	1399	1339	2.42
11	A	1329	1271	10.49
12	A	1311	1254	12.97
13	A	1276	1221	4.40
14	A	1211	1158	1.89
15	A	1180	1129	25.86
16	A	1078	1031	0.48
17	A	1065	1019	74.83
18	A	1002	959	0.90
19	A	955	914	2.65
20	A	928	888	14.07
21	A	916	876	35.05
22	A	846	809	0.75
23	A	836	800	3.97
24	A	746	714	52.35
25	A	700	670	3.11
26	A	455	435	28.08
27	A	52	49	2.03

Atom	x (Å)	y (Å)	z (Å)
H1	1.073	2.062	0.036
C2	0.599	1.095	0.020
H3	2.267	-0.314	0.009
C4	1.214	-0.083	0.004
O5	0.381	-1.201	-0.030
H6	-1.339	1.280	-0.952
H7	-1.417	1.346	0.821
C8	-0.906	0.883	-0.028
H9	-1.556	-1.093	-0.813
H10	-1.448	-1.015	0.970
C11	-1.011	-0.672	0.031

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0766	2.6591	2.1497	3.3355	2.7214	2.7070	2.3046	4.1937	4.0864	3.4377
C2	1.0766		2.1838	1.3295	2.3067	2.1758	2.1837	1.5208	3.1823	3.0903	2.3909
H3	2.6591	2.1838		1.0778	2.0844	4.0582	4.1216	3.3916	3.9877	3.9013	3.2981
C4	2.1497	1.3295	1.0778		1.3944	3.0482	3.1039	2.3303	3.0601	2.9821	2.3025
O5	3.3355	2.3067	2.0844	1.3944		3.1562	3.2315	2.4488	2.0925	2.0930	1.4907
H6	2.7214	2.1758	4.0582	3.0482	3.1562		1.7758	1.0949	2.3867	2.9957	2.2097
H7	2.7070	2.1837	4.1216	3.1039	3.2315	1.7758		1.0938	2.9393	2.3666	2.2047
C8	2.3046	1.5208	3.3916	2.3303	2.4488	1.0949	1.0938		2.2232	2.2120	1.5593
H9	4.1937	3.1823	3.9877	3.0601	2.0925	2.3867	2.9393	2.2232		1.7881	1.0895
H10	4.0864	3.0903	3.9013	2.9821	2.0930	2.9957	2.3666	2.2120	1.7881		1.0911
C11	3.4377	2.3909	3.2981	2.3025	1.4907	2.2097	2.2047	1.5593	1.0895	1.0911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	126.296	H1	C2	C8	124.180
C2	C4	H3	129.944	C2	C4	O5	115.717
C2	C8	H6	111.535	C2	C8	H7	112.250
C2	C8	C11	101.830	H3	C4	O5	114.339
C4	C2	C8	109.505	C4	O5	C11	105.846
O5	C11	C8	106.795	O5	C11	H9	107.362
O5	C11	H10	107.309	H6	C8	H7	108.457
H6	C8	C11	111.523	H7	C8	C11	111.193
C8	C11	H9	112.938	C8	C11	H10	111.942
H9	C11	H10	110.172

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

using model chemistry: B1B95/3-21G

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	H	0.206
2	C	-0.289
3	H	0.237
4	C	0.096
5	O	-0.491
6	H	0.229
7	H	0.228
8	C	-0.479
9	H	0.231
10	H	0.230
11	C	-0.197

	x	y	z	Total
	-0.824	1.176	0.058	1.437
CHELPG
AIM
ESP

	x	y	z
x	6.539	-0.156	0.017
y	-0.156	6.602	0.006
z	0.017	0.006	3.715

<r²>	95.590
(<r²>)^1/2	9.777

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

using model chemistry: B1B95/3-21G

States and conformations

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