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	hartrees
Energy at 0K	-42.160048
Energy at 298.15K	-42.167179
Nuclear repulsion energy	93.321627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3230	3132	14.29
2	A	3207	3108	3.52
3	A	3103	3008	52.52
4	A	3053	2960	53.45
5	A	3025	2933	51.81
6	A	2998	2906	59.63
7	A	1649	1598	64.04
8	A	1527	1480	0.19
9	A	1504	1458	0.31
10	A	1402	1359	3.04
11	A	1318	1278	2.68
12	A	1296	1256	5.98
13	A	1239	1201	8.02
14	A	1205	1168	9.96
15	A	1152	1117	63.78
16	A	1078	1045	37.20
17	A	1063	1030	30.10
18	A	992	962	7.48
19	A	927	899	29.75
20	A	920	892	26.41
21	A	890	862	5.67
22	A	838	812	4.37
23	A	824	798	6.18
24	A	706	685	47.10
25	A	673	652	2.27
26	A	443	430	22.92
27	A	118	114	1.29

Atom	x (Å)	y (Å)	z (Å)
H1	1.108	2.068	0.104
C2	0.614	1.103	0.055
H3	2.286	-0.336	0.023
C4	1.227	-0.091	0.010
O5	0.390	-1.184	-0.088
H6	-1.269	1.218	-1.050
H7	-1.477	1.392	0.701
C8	-0.891	0.879	-0.073
H9	-1.607	-1.164	-0.656
H10	-1.303	-0.955	1.093
C11	-0.971	-0.670	0.085

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0846	2.6781	2.1635	3.3356	2.7748	2.7373	2.3322	4.2889	3.9908	3.4375
C2	1.0846		2.2060	1.3427	2.3027	2.1860	2.2073	1.5270	3.2529	2.9981	2.3786
H3	2.6781	2.2060		1.0866	2.0794	4.0250	4.1954	3.4022	4.0378	3.7955	3.2746
C4	2.1635	1.3427	1.0866		1.3807	3.0111	3.1601	2.3308	3.1037	2.8848	2.2749
O5	3.3356	2.3027	2.0794	1.3807		3.0742	3.2778	2.4284	2.0772	2.0768	1.4657
H6	2.7748	2.1860	4.0250	3.0111	3.0742		1.7714	1.1012	2.4385	3.0523	2.2229
H7	2.7373	2.2073	4.1954	3.1601	3.2778	1.7714		1.0978	2.8968	2.3858	2.2103
C8	2.3322	1.5270	3.4022	2.3308	2.4284	1.1012	1.0978		2.2421	2.2117	1.5585
H9	4.2889	3.2529	4.0378	3.1037	2.0772	2.4385	2.8968	2.2421		1.7876	1.0946
H10	3.9908	2.9981	3.7955	2.8848	2.0768	3.0523	2.3858	2.2117	1.7876		1.0989
C11	3.4375	2.3786	3.2746	2.2749	1.4657	2.2229	2.2103	1.5585	1.0946	1.0989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.748	H1	C2	C8	125.666
C2	C4	H3	130.198	C2	C4	O5	115.450
C2	C8	H6	111.532	C2	C8	H7	113.477
C2	C8	C11	100.862	H3	C4	O5	114.343
C4	C2	C8	108.461	C4	O5	C11	106.066
O5	C11	C8	106.790	O5	C11	H9	107.561
O5	C11	H10	107.289	H6	C8	H7	107.329
H6	C8	C11	112.245	H7	C8	C11	111.445
C8	C11	H9	114.219	C8	C11	H10	111.489
H9	C11	H10	109.166

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

using model chemistry: B3LYP/CEP-121G*

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	0.198
2	C	-0.145
3	H	0.181
4	C	-0.128
5	O	-0.239
6	H	0.161
7	H	0.164
8	C	-0.364
9	H	0.167
10	H	0.154
11	C	-0.150

	x	y	z	Total
	-0.779	1.003	0.117	1.275
CHELPG
AIM
ESP

	x	y	z
x	7.697	-0.231	0.045
y	-0.231	7.735	-0.011
z	0.045	-0.011	5.152

<r²>	80.182
(<r²>)^1/2	8.954

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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