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	hartrees
Energy at 0K	-231.051751
Energy at 298.15K	-231.058803
Nuclear repulsion energy	172.819535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3324	3170	6.43
2	A	3293	3140	0.28
3	A	3170	3023	34.59
4	A	3111	2967	40.32
5	A	3100	2956	15.70
6	A	3064	2922	38.78
7	A	1709	1630	41.26
8	A	1557	1485	1.28
9	A	1537	1466	0.69
10	A	1410	1344	1.70
11	A	1337	1275	12.58
12	A	1326	1264	8.03
13	A	1268	1210	0.44
14	A	1209	1153	2.43
15	A	1181	1126	33.83
16	A	1094	1044	0.63
17	A	1078	1028	74.23
18	A	1036	988	0.52
19	A	947	903	23.27
20	A	945	901	2.37
21	A	908	866	35.34
22	A	853	814	0.75
23	A	844	805	2.56
24	A	749	715	48.57
25	A	705	673	3.20
26	A	458	437	25.74
27	A	25	24	2.81

Atom	x (Å)	y (Å)	z (Å)
H1	1.108	2.042	0.000
C2	0.616	1.082	0.000
H3	2.263	-0.372	0.000
C4	1.218	-0.108	0.000
O5	0.353	-1.198	-0.000
H6	-1.356	1.342	-0.881
H7	-1.357	1.342	0.880
C8	-0.885	0.892	-0.000
H9	-1.521	-1.036	-0.889
H10	-1.520	-1.036	0.890
C11	-1.023	-0.649	0.000

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0784	2.6762	2.1527	3.3265	2.7091	2.7090	2.3007	4.1448	4.1439	3.4326
C2	1.0784		2.1967	1.3333	2.2950	2.1762	2.1763	1.5135	3.1381	3.1374	2.3843
H3	2.6762	2.1967		1.0779	2.0804	4.1004	4.1009	3.3926	3.9436	3.9429	3.2978
C4	2.1527	1.3333	1.0779		1.3911	3.0830	3.0835	2.3288	3.0258	3.0251	2.3055
O5	3.3265	2.2950	2.0804	1.3911		3.1859	3.1865	2.4298	2.0811	2.0811	1.4821
H6	2.7091	2.1762	4.1004	3.0830	3.1859		1.7614	1.0955	2.3839	2.9696	2.2026
H7	2.7090	2.1763	4.1009	3.0835	3.1865	1.7614		1.0955	2.9691	2.3838	2.2026
C8	2.3007	1.5135	3.3926	2.3288	2.4298	1.0955	1.0955		2.2170	2.2169	1.5476
H9	4.1448	3.1381	3.9436	3.0258	2.0811	2.3839	2.9691	2.2170		1.7795	1.0904
H10	4.1439	3.1374	3.9429	3.0251	2.0811	2.9696	2.3838	2.2169	1.7795		1.0905
C11	3.4326	2.3843	3.2978	2.3055	1.4821	2.2026	2.2026	1.5476	1.0904	1.0905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	126.078	H1	C2	C8	124.303
C2	C4	H3	131.000	C2	C4	O5	114.771
C2	C8	H6	112.058	C2	C8	H7	112.064
C2	C8	C11	102.313	H3	C4	O5	114.229
C4	C2	C8	109.619	C4	O5	C11	106.676
O5	C11	C8	106.620	O5	C11	H9	107.004
O5	C11	H10	107.003	H6	C8	H7	107.010
H6	C8	C11	111.744	H7	C8	C11	111.742
C8	C11	H9	113.222	C8	C11	H10	113.214
H9	C11	H10	109.363

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

using model chemistry: B1B95/6-31G

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	0.159
2	C	-0.195
3	H	0.184
4	C	0.126
5	O	-0.530
6	H	0.173
7	H	0.173
8	C	-0.371
9	H	0.179
10	H	0.179
11	C	-0.076

	x	y	z	Total
	-0.868	1.442	0.001	1.683
CHELPG
AIM
ESP

	x	y	z
x	6.794	-0.230	0.000
y	-0.230	6.923	0.000
z	0.000	0.000	4.033

<r²>	95.300
(<r²>)^1/2	9.762

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

using model chemistry: B1B95/6-31G

States and conformations

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