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	hartrees
Energy at 0K	-231.306212
Energy at 298.15K	-231.313395
HF Energy	-231.306212
Nuclear repulsion energy	174.162671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3253	3141	5.19
2	A	3228	3117	1.17
3	A	3114	3007	31.74
4	A	3065	2959	37.24
5	A	3042	2937	35.96
6	A	3015	2911	40.76
7	A	1675	1617	61.67
8	A	1524	1471	0.86
9	A	1502	1450	0.64
10	A	1407	1358	2.70
11	A	1328	1282	0.62
12	A	1308	1262	10.02
13	A	1246	1203	8.47
14	A	1211	1169	7.62
15	A	1164	1124	53.33
16	A	1087	1049	39.77
17	A	1073	1036	37.27
18	A	1001	966	4.56
19	A	931	899	13.00
20	A	926	894	42.67
21	A	921	889	8.51
22	A	846	816	4.61
23	A	837	808	6.27
24	A	720	695	44.92
25	A	690	666	3.35
26	A	458	442	21.08
27	A	107	103	1.29

Atom	x (Å)	y (Å)	z (Å)
H1	0.955	1.895	0.539
C2	0.558	1.034	0.137
H3	2.235	-0.232	0.057
C4	1.194	-0.122	-0.001
O5	0.296	-1.164	-0.205
H6	-0.866	0.685	-1.344
H7	-1.526	1.566	0.071
C8	-0.815	0.817	-0.260
H9	-1.917	-1.035	-0.054
H10	-0.975	-0.547	1.382
C11	-0.982	-0.567	0.288

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0297	2.5285	2.1010	3.2160	2.8854	2.5456	2.2210	4.1452	3.2249	3.1422
C2	1.0297		2.1028	1.3260	2.2397	2.0837	2.1513	1.4458	3.2315	2.5304	2.2264
H3	2.5285	2.1028		1.0490	2.1674	3.5247	4.1682	3.2416	4.2307	3.4874	3.2427
C4	2.1010	1.3260	1.0490		1.3905	2.5880	3.2009	2.2328	3.2424	2.6071	2.2393
O5	3.2160	2.2397	2.1674	1.3905		2.4634	3.2932	2.2726	2.2221	2.1245	1.4942
H6	2.8854	2.0837	3.5247	2.5880	2.4634		1.7918	1.0933	2.3926	2.9933	2.0597
H7	2.5456	2.1513	4.1682	3.2009	3.2932	1.7918		1.0831	2.6327	2.5469	2.2113
C8	2.2210	1.4458	3.2416	2.2328	2.2726	1.0933	1.0831		2.1648	2.1408	1.4978
H9	4.1452	3.2315	4.2307	3.2424	2.2221	2.3926	2.6327	2.1648		1.7852	1.1003
H10	3.2249	2.5304	3.4874	2.6071	2.1245	2.9933	2.5469	2.1408	1.7852		1.0942
C11	3.1422	2.2264	3.2427	2.2393	1.4942	2.0597	2.2113	1.4978	1.1003	1.0942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.746	H1	C2	C8	126.763
C2	C4	H3	124.176	C2	C4	O5	111.049
C2	C8	H6	109.520	C2	C8	H7	115.826
C2	C8	C11	98.270	H3	C4	O5	124.765
C4	C2	C8	107.239	C4	O5	C11	101.779
O5	C11	C8	98.850	O5	C11	H9	117.036
O5	C11	H10	109.352	H6	C8	H7	110.833
H6	C8	C11	104.205	H7	C8	C11	116.999
C8	C11	H9	111.956	C8	C11	H10	110.392
H9	C11	H10	108.876

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

using model chemistry: B3LYP/TZVP

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	0.137
2	C	-0.158
3	H	0.124
4	C	-0.039
5	O	-0.230
6	H	0.127
7	H	0.127
8	C	-0.253
9	H	0.127
10	H	0.122
11	C	-0.084

	x	y	z	Total
	-0.825	1.031	0.102	1.324
CHELPG
AIM
ESP

	x	y	z
x	7.708	-0.248	0.030
y	-0.248	7.805	-0.029
z	0.030	-0.029	5.457

<r²>	94.503
(<r²>)^1/2	9.721

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

using model chemistry: B3LYP/TZVP

States and conformations

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