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	hartrees
Energy at 0K	-229.882426
Energy at 298.15K	-229.889573
HF Energy	-229.882426
Nuclear repulsion energy	172.332180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3322	3149	3.46
2	A	3292	3120	0.62
3	A	3186	3020	31.26
4	A	3141	2977	6.13
5	A	3129	2966	34.59
6	A	3102	2940	26.15
7	A	1709	1620	39.28
8	A	1579	1497	1.42
9	A	1553	1472	1.12
10	A	1414	1340	2.86
11	A	1346	1276	15.39
12	A	1325	1256	13.25
13	A	1292	1225	0.78
14	A	1226	1162	1.73
15	A	1193	1131	30.32
16	A	1095	1038	0.28
17	A	1081	1024	79.66
18	A	1005	952	1.55
19	A	973	922	2.04
20	A	933	884	12.92
21	A	917	870	38.69
22	A	855	810	1.02
23	A	852	807	1.94
24	A	747	708	55.24
25	A	717	679	3.61
26	A	463	439	29.99
27	A	65	62	2.40

Atom	x (Å)	y (Å)	z (Å)
H1	1.257	1.956	0.059
C2	0.694	1.039	0.032
H3	2.236	-0.508	0.017
C4	1.207	-0.189	0.007
O5	0.273	-1.215	-0.049
H6	-1.205	1.361	-0.989
H7	-1.325	1.479	0.776
C8	-0.828	0.951	-0.045
H9	-1.689	-0.979	-0.754
H10	-1.498	-0.865	1.016
C11	-1.065	-0.588	0.051

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0763	2.6521	2.1462	3.3219	2.7409	2.7209	2.3166	4.2371	4.0568	3.4436
C2	1.0763		2.1847	1.3309	2.2944	2.1799	2.1959	1.5265	3.2199	3.0653	2.3957
H3	2.6521	2.1847		1.0781	2.0877	4.0436	4.1479	3.3949	4.0277	3.8818	3.3025
C4	2.1462	1.3309	1.0781		1.3884	3.0352	3.1274	2.3331	3.0962	2.9645	2.3067
O5	3.3219	2.2944	2.0877	1.3884		3.1157	3.2389	2.4302	2.0979	2.0957	1.4813
H6	2.7409	2.1799	4.0436	3.0352	3.1157		1.7724	1.0963	2.4017	3.0100	2.2131
H7	2.7209	2.1959	4.1479	3.1274	3.2389	1.7724		1.0945	2.9185	2.3624	2.2054
C8	2.3166	1.5265	3.3949	2.3331	2.4302	1.0963	1.0945		2.2297	2.2069	1.5597
H9	4.2371	3.2199	4.0277	3.0962	2.0979	2.4017	2.9185	2.2297		1.7842	1.0910
H10	4.0568	3.0653	3.8818	2.9645	2.0957	3.0100	2.3624	2.2069	1.7842		1.0937
C11	3.4436	2.3957	3.3025	2.3067	1.4813	2.2131	2.2054	1.5597	1.0910	1.0937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.817	H1	C2	C8	124.858
C2	C4	H3	129.860	C2	C4	O5	115.059
C2	C8	H6	111.370	C2	C8	H7	112.778
C2	C8	C11	101.830	H3	C4	O5	115.080
C4	C2	C8	109.281	C4	O5	C11	106.953
O5	C11	C8	106.070	O5	C11	H9	108.341
O5	C11	H10	108.006	H6	C8	H7	108.004
H6	C8	C11	111.675	H7	C8	C11	111.175
C8	C11	H9	113.348	C8	C11	H10	111.343
H9	C11	H10	109.505

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

using model chemistry: wB97X-D/3-21G*

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	0.215
2	C	-0.305
3	H	0.247
4	C	0.102
5	O	-0.508
6	H	0.230
7	H	0.230
8	C	-0.483
9	H	0.232
10	H	0.232
11	C	-0.191

	x	y	z	Total
	-0.796	1.229	-0.001	1.465
CHELPG
AIM
ESP

	x	y	z
x	6.417	-0.176	-0.000
y	-0.176	6.570	0.000
z	-0.000	0.000	3.701

<r²>	95.661
(<r²>)^1/2	9.781

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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