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	hartrees
Energy at 0K	-231.161237
Energy at 298.15K	-231.168249
HF Energy	-231.161237
Nuclear repulsion energy	173.615292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3199	3154	8.57
2	A	3168	3124	4.55
3	A	3053	3011	39.79
4	A	3005	2963	50.78
5	A	2987	2945	33.28
6	A	2959	2917	51.30
7	A	1636	1613	57.50
8	A	1489	1468	0.38
9	A	1468	1447	0.22
10	A	1372	1353	2.97
11	A	1292	1274	0.38
12	A	1273	1255	9.92
13	A	1222	1205	5.94
14	A	1181	1164	4.50
15	A	1135	1119	46.58
16	A	1058	1043	27.49
17	A	1048	1033	36.23
18	A	979	965	3.24
19	A	912	900	19.80
20	A	893	881	35.20
21	A	879	866	5.21
22	A	824	813	3.14
23	A	819	808	5.37
24	A	687	677	25.90
25	A	679	669	13.96
26	A	446	440	19.13
27	A	61	60	0.82

Atom	x (Å)	y (Å)	z (Å)
H1	0.945	2.124	0.066
C2	0.519	1.131	0.036
H3	2.275	-0.184	0.015
C4	1.205	-0.014	0.007
O5	0.452	-1.156	-0.055
H6	-1.395	1.159	-0.996
H7	-1.543	1.267	0.759
C8	-0.958	0.814	-0.049
H9	-1.503	-1.232	-0.737
H10	-1.313	-1.080	1.029
C11	-0.946	-0.731	0.057

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0808	2.6645	2.1543	3.3189	2.7444	2.7205	2.3128	4.2310	4.0357	3.4241
C2	1.0808		2.1939	1.3347	2.2897	2.1746	2.1890	1.5129	3.2051	3.0377	2.3691
H3	2.6645	2.1939		1.0835	2.0670	4.0366	4.1515	3.3839	3.9923	3.8342	3.2671
C4	2.1543	1.3347	1.0835		1.3695	3.0234	3.1234	2.3163	3.0616	2.9187	2.2678
O5	3.3189	2.2897	2.0670	1.3695		3.1075	3.2424	2.4223	2.0723	2.0721	1.4652
H6	2.7444	2.1746	4.0366	3.0234	3.1075		1.7643	1.0985	2.4078	3.0198	2.2098
H7	2.7205	2.1890	4.1515	3.1234	3.2424	1.7643		1.0957	2.9134	2.3737	2.2004
C8	2.3128	1.5129	3.3839	2.3163	2.4223	1.0985	1.0957		2.2265	2.2076	1.5485
H9	4.2310	3.2051	3.9923	3.0616	2.0723	2.4078	2.9134	2.2265		1.7828	1.0923
H10	4.0357	3.0377	3.8342	2.9187	2.0721	3.0198	2.3737	2.2076	1.7828		1.0955
C11	3.4241	2.3691	3.2671	2.2678	1.4652	2.2098	2.2004	1.5485	1.0923	1.0955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.776	H1	C2	C8	125.414
C2	C4	H3	130.158	C2	C4	O5	115.481
C2	C8	H6	111.780	C2	C8	H7	113.131
C2	C8	C11	101.412	H3	C4	O5	114.356
C4	C2	C8	108.752	C4	O5	C11	106.449
O5	C11	C8	106.912	O5	C11	H9	107.651
O5	C11	H10	107.331	H6	C8	H7	107.006
H6	C8	C11	112.077	H7	C8	C11	111.522
C8	C11	H9	113.697	C8	C11	H10	112.001
H9	C11	H10	108.948

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

using model chemistry: B97D3/cc-pVTZ

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	0.104
2	C	-0.209
3	H	0.105
4	C	0.020
5	O	-0.233
6	H	0.074
7	H	0.074
8	C	-0.116
9	H	0.070
10	H	0.062
11	C	0.048

	x	y	z	Total
	-0.810	0.757	0.064	1.110
CHELPG
AIM
ESP

	x	y	z
x	8.014	-0.172	0.030
y	-0.172	7.983	-0.019
z	0.030	-0.019	5.348

<r²>	94.815
(<r²>)^1/2	9.737

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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