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	hartrees
Energy at 0K	-229.667633
Energy at 298.15K	-229.674587
Nuclear repulsion energy	170.666932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3218	3188	4.19
2	A	3185	3156	1.76
3	A	3067	3040	33.30
4	A	3014	2986	38.16
5	A	3012	2984	9.33
6	A	2979	2952	32.91
7	A	1622	1608	34.55
8	A	1517	1503	0.76
9	A	1493	1480	0.26
10	A	1350	1338	2.59
11	A	1282	1270	8.72
12	A	1261	1249	16.52
13	A	1241	1229	0.59
14	A	1168	1157	1.24
15	A	1141	1131	22.69
16	A	1041	1031	0.14
17	A	1020	1011	61.91
18	A	968	959	0.44
19	A	899	891	23.94
20	A	892	884	5.29
21	A	864	856	22.45
22	A	815	808	1.37
23	A	814	807	0.02
24	A	696	689	49.75
25	A	682	675	2.41
26	A	440	436	26.86
27	A	51	50	1.31

Atom	x (Å)	y (Å)	z (Å)
H1	-0.903	2.166	0.000
C2	-0.508	1.154	0.000
H3	-2.305	-0.126	0.000
C4	-1.226	0.018	0.000
O5	-0.490	-1.182	-0.000
H6	1.499	1.207	0.896
H7	1.498	1.207	-0.897
C8	0.985	0.813	-0.000
H9	1.424	-1.186	0.904
H10	1.424	-1.186	-0.903
C11	0.963	-0.757	0.000

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0865	2.6861	2.1722	3.3730	2.7371	2.7371	2.3228	4.1792	4.1796	3.4676
C2	1.0865		2.2060	1.3441	2.3358	2.1980	2.1980	1.5311	3.1657	3.1661	2.4110
H3	2.6861	2.2060		1.0883	2.0991	4.1286	4.1283	3.4210	3.9799	3.9803	3.3278
C4	2.1722	1.3441	1.0883		1.4069	3.1049	3.1047	2.3496	3.0470	3.0474	2.3216
O5	3.3730	2.3358	2.0991	1.4069		3.2353	3.2350	2.4814	2.1167	2.1167	1.5142
H6	2.7371	2.1980	4.1286	3.1049	3.2353		1.7927	1.1056	2.3944	2.9953	2.2242
H7	2.7371	2.1980	4.1283	3.1047	3.2350	1.7927		1.1056	2.9955	2.3945	2.2242
C8	2.3228	1.5311	3.4210	2.3496	2.4814	1.1056	1.1056		2.2375	2.2376	1.5702
H9	4.1792	3.1657	3.9799	3.0470	2.1167	2.3944	2.9955	2.2375		1.8068	1.1014
H10	4.1796	3.1661	3.9803	3.0474	2.1167	2.9953	2.3945	2.2376	1.8068		1.1014
C11	3.4676	2.4110	3.3278	2.3216	1.5142	2.2242	2.2242	1.5702	1.1014	1.1014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	126.351	H1	C2	C8	124.211
C2	C4	H3	129.870	C2	C4	O5	116.198
C2	C8	H6	111.941	C2	C8	H7	111.937
C2	C8	C11	102.046	H3	C4	O5	113.932
C4	C2	C8	109.438	C4	O5	C11	105.207
O5	C11	C8	107.111	O5	C11	H9	106.989
O5	C11	H10	106.989	H6	C8	H7	108.345
H6	C8	C11	111.265	H7	C8	C11	111.267
C8	C11	H9	112.578	C8	C11	H10	112.584
H9	C11	H10	110.224

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

using model chemistry: PBEPBE/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	0.190
2	C	-0.264
3	H	0.223
4	C	0.070
5	O	-0.430
6	H	0.221
7	H	0.221
8	C	-0.467
9	H	0.225
10	H	0.225
11	C	-0.215

	x	y	z	Total
	0.933	0.924	0.000	1.313
CHELPG
AIM
ESP

	x	y	z
x	6.815	0.105	-0.000
y	0.105	6.802	-0.000
z	-0.000	-0.000	3.802

<r²>	97.224
(<r²>)^1/2	9.860

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

using model chemistry: PBEPBE/3-21G

States and conformations

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