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	hartrees
Energy at 0K	-231.166634
Energy at 298.15K	-231.173799
Nuclear repulsion energy	174.084143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3268	3152	5.05
2	A	3240	3126	1.16
3	A	3130	3019	29.46
4	A	3082	2973	29.53
5	A	3053	2945	40.32
6	A	3027	2920	44.14
7	A	1686	1626	68.56
8	A	1500	1447	1.24
9	A	1476	1424	0.94
10	A	1393	1344	5.51
11	A	1315	1268	2.88
12	A	1286	1241	5.77
13	A	1237	1193	7.38
14	A	1199	1156	11.84
15	A	1157	1116	70.62
16	A	1091	1052	34.62
17	A	1061	1023	4.52
18	A	1017	981	6.36
19	A	947	913	12.84
20	A	937	903	48.75
21	A	906	874	5.34
22	A	843	813	2.15
23	A	835	806	5.44
24	A	706	681	42.33
25	A	688	664	5.40
26	A	456	440	19.30
27	A	99	96	0.95

Atom	x (Å)	y (Å)	z (Å)
H1	1.007	2.097	0.087
C2	0.548	1.114	0.044
H3	2.271	-0.252	0.021
C4	1.202	-0.051	0.010
O5	0.411	-1.161	-0.072
H6	-1.339	1.174	-1.030
H7	-1.524	1.320	0.725
C8	-0.932	0.834	-0.063
H9	-1.558	-1.209	-0.690
H10	-1.303	-1.018	1.070
C11	-0.958	-0.701	0.074

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0862	2.6681	2.1582	3.3155	2.7575	2.7237	2.3192	4.2559	4.0004	3.4195
C2	1.0862		2.1988	1.3362	2.2815	2.1719	2.1908	1.5100	3.2198	3.0032	2.3585
H3	2.6681	2.1988		1.0879	2.0716	4.0210	4.1678	3.3834	4.0100	3.8022	3.2602
C4	2.1582	1.3362	1.0879		1.3647	3.0059	3.1343	2.3115	3.0732	2.8864	2.2563
O5	3.3155	2.2815	2.0716	1.3647		3.0713	3.2462	2.4054	2.0646	2.0645	1.4517
H6	2.7575	2.1719	4.0210	3.0059	3.0713		1.7709	1.1024	2.4170	3.0355	2.2095
H7	2.7237	2.1908	4.1678	3.1343	3.2462	1.7709		1.0992	2.8983	2.3738	2.1982
C8	2.3192	1.5100	3.3834	2.3115	2.4054	1.1024	1.0992		2.2268	2.2026	1.5421
H9	4.2559	3.2198	4.0100	3.0732	2.0646	2.4170	2.8983	2.2268		1.7882	1.0961
H10	4.0004	3.0032	3.8022	2.8864	2.0645	3.0355	2.3738	2.2026	1.7882		1.1000
C11	3.4195	2.3585	3.2602	2.2563	1.4517	2.2095	2.1982	1.5421	1.0961	1.1000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.669	H1	C2	C8	125.800
C2	C4	H3	129.918	C2	C4	O5	115.276
C2	C8	H6	111.529	C2	C8	H7	113.260
C2	C8	C11	101.195	H3	C4	O5	114.799
C4	C2	C8	108.451	C4	O5	C11	106.435
O5	C11	C8	106.887	O5	C11	H9	107.443
O5	C11	H10	107.207	H6	C8	H7	107.103
H6	C8	C11	112.273	H7	C8	C11	111.558
C8	C11	H9	114.077	C8	C11	H10	111.860
H9	C11	H10	109.028

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

using model chemistry: B3PW91/aug-cc-pVDZ

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	-0.412
2	C	0.590
3	H	-0.382
4	C	0.415
5	O	-0.582
6	H	-0.223
7	H	-0.202
8	C	0.434
9	H	-0.312
10	H	-0.301
11	C	0.974

	x	y	z	Total
	-0.825	0.886	0.085	1.214
CHELPG
AIM
ESP

	x	y	z
x	8.282	-0.185	0.034
y	-0.185	8.303	-0.022
z	0.034	-0.022	6.074

<r²>	94.439
(<r²>)^1/2	9.718

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

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

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