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	hartrees
Energy at 0K	-229.882244
Energy at 298.15K	-229.889668
HF Energy	-229.882244
Nuclear repulsion energy	176.041593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3400	3082	9.63
2	A	3374	3058	1.23
3	A	3251	2946	52.18
4	A	3206	2906	66.64
5	A	3188	2890	25.97
6	A	3165	2869	51.33
7	A	1824	1653	82.76
8	A	1654	1499	0.14
9	A	1625	1473	0.27
10	A	1542	1398	5.70
11	A	1450	1315	2.96
12	A	1430	1296	8.28
13	A	1361	1234	3.96
14	A	1319	1196	11.65
15	A	1272	1153	96.19
16	A	1192	1080	59.77
17	A	1175	1065	8.68
18	A	1088	987	25.96
19	A	1063	964	2.38
20	A	1021	926	35.52
21	A	988	896	24.05
22	A	914	829	3.36
23	A	901	817	7.58
24	A	816	739	48.07
25	A	754	684	2.43
26	A	496	450	21.32
27	A	91	83	1.54

Atom	x (Å)	y (Å)	z (Å)
H1	1.322	1.877	0.062
C2	0.719	0.996	0.030
H3	2.178	-0.587	0.023
C4	1.171	-0.230	0.009
O5	0.221	-1.187	-0.056
H6	-1.152	1.377	-0.977
H7	-1.267	1.503	0.760
C8	-0.786	0.961	-0.045
H9	-1.685	-0.930	-0.730
H10	-1.471	-0.823	1.012
C11	-1.053	-0.548	0.055

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0677	2.6090	2.1126	3.2580	2.7298	2.7072	2.3003	4.1892	3.9993	3.3938
C2	1.0677		2.1533	1.3067	2.2413	2.1592	2.1753	1.5069	3.1733	3.0118	2.3503
H3	2.6090	2.1533		1.0688	2.0479	3.9936	4.0960	3.3445	3.9507	3.7879	3.2311
C4	2.1126	1.3067	1.0688		1.3501	2.9919	3.0832	2.2911	3.0323	2.8874	2.2468
O5	3.2580	2.2413	2.0479	1.3501		3.0514	3.1806	2.3730	2.0385	2.0342	1.4301
H6	2.7298	2.1592	3.9936	2.9919	3.0514		1.7452	1.0843	2.3807	2.9835	2.1863
H7	2.7072	2.1753	4.0960	3.0832	3.1806	1.7452		1.0828	2.8831	2.3486	2.1785
C8	2.3003	1.5069	3.3445	2.2911	2.3730	1.0843	1.0828		2.2037	2.1848	1.5358
H9	4.1892	3.1733	3.9507	3.0323	2.0385	2.3807	2.8831	2.2037		1.7587	1.0783
H10	3.9993	3.0118	3.7879	2.8874	2.0342	2.9835	2.3486	2.1848	1.7587		1.0803
C11	3.3938	2.3503	3.2311	2.2468	1.4301	2.1863	2.1785	1.5358	1.0783	1.0803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.375	H1	C2	C8	125.766
C2	C4	H3	129.765	C2	C4	O5	115.029
C2	C8	H6	111.837	C2	C8	H7	113.259
C2	C8	C11	101.142	H3	C4	O5	115.200
C4	C2	C8	108.827	C4	O5	C11	107.790
O5	C11	C8	106.221	O5	C11	H9	107.896
O5	C11	H10	107.430	H6	C8	H7	107.281
H6	C8	C11	111.955	H7	C8	C11	111.420
C8	C11	H9	113.764	C8	C11	H10	112.088
H9	C11	H10	109.131

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

using model chemistry: HF/Def2TZVPP

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	0.080
2	C	-0.226
3	H	0.097
4	C	0.144
5	O	-0.397
6	H	0.042
7	H	0.049
8	C	-0.021
9	H	0.051
10	H	0.039
11	C	0.143

	x	y	z	Total
	-0.595	1.064	0.097	1.222
CHELPG
AIM
ESP

	x	y	z
x	7.239	-0.331	0.016
y	-0.331	7.528	-0.024
z	0.016	-0.024	5.332

<r²>	92.916
(<r²>)^1/2	9.639

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

using model chemistry: HF/Def2TZVPP

States and conformations

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