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	hartrees
Energy at 0K	-231.055192
Energy at 298.15K	-231.062415
HF Energy	-231.055192
Nuclear repulsion energy	175.121567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3268	3141	4.71
2	A	3237	3111	2.34
3	A	3125	3004	29.99
4	A	3084	2964	28.67
5	A	3050	2931	41.85
6	A	3029	2911	39.93
7	A	1698	1632	62.57
8	A	1516	1457	1.19
9	A	1491	1433	0.96
10	A	1413	1358	4.49
11	A	1329	1278	1.85
12	A	1307	1256	8.24
13	A	1253	1204	9.19
14	A	1214	1167	14.72
15	A	1173	1127	71.58
16	A	1105	1062	33.58
17	A	1076	1034	5.16
18	A	1023	984	8.47
19	A	959	922	20.15
20	A	947	910	37.20
21	A	933	897	3.58
22	A	854	821	1.29
23	A	843	810	6.72
24	A	725	697	41.02
25	A	691	664	2.10
26	A	464	446	19.97
27	A	107	103	1.04

Atom	x (Å)	y (Å)	z (Å)
H1	1.020	1.900	0.530
C2	0.587	1.035	0.131
H3	2.228	-0.308	0.051
C4	1.182	-0.148	-0.001
O5	0.269	-1.170	-0.205
H6	-0.871	0.715	-1.336
H7	-1.510	1.596	0.089
C8	-0.808	0.840	-0.250
H9	-1.913	-1.029	-0.055
H10	-0.965	-0.554	1.378
C11	-0.984	-0.553	0.284

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0466	2.5628	2.1219	3.2451	2.9082	2.5853	2.2522	4.1859	3.2683	3.1773
C2	1.0466		2.1221	1.3302	2.2529	2.0923	2.1709	1.4592	3.2471	2.5476	2.2394
H3	2.5628	2.1221		1.0595	2.1558	3.5458	4.1950	3.2600	4.2043	3.4672	3.2302
C4	2.1219	1.3302	1.0595		1.3862	2.5959	3.2083	2.2356	3.2183	2.5848	2.2226
O5	3.2451	2.2529	2.1558	1.3862		2.4762	3.3013	2.2808	2.1909	2.1000	1.4798
H6	2.9082	2.0923	3.5458	2.5959	2.4762		1.7922	1.0947	2.4023	2.9978	2.0610
H7	2.5853	2.1709	4.1950	3.2083	3.3013	1.7922		1.0853	2.6598	2.5653	2.2210
C8	2.2522	1.4592	3.2600	2.2356	2.2808	1.0947	1.0853		2.1802	2.1493	1.5027
H9	4.1859	3.2471	4.2043	3.2183	2.1909	2.4023	2.6598	2.1802		1.7826	1.0970
H10	3.2683	2.5476	3.4672	2.5848	2.1000	2.9978	2.5653	2.1493	1.7826		1.0942
C11	3.1773	2.2394	3.2302	2.2226	1.4798	2.0610	2.2210	1.5027	1.0970	1.0942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	126.025	H1	C2	C8	127.217
C2	C4	H3	124.859	C2	C4	O5	112.052
C2	C8	H6	109.191	C2	C8	H7	116.344
C2	C8	C11	98.222	H3	C4	O5	123.086
C4	C2	C8	106.449	C4	O5	C11	101.653
O5	C11	C8	99.761	O5	C11	H9	115.672
O5	C11	H10	108.412	H6	C8	H7	110.591
H6	C8	C11	103.913	H7	C8	C11	117.316
C8	C11	H9	113.060	C8	C11	H10	110.734
H9	C11	H10	108.883

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

using model chemistry: HSEh1PBE/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	0.126
2	C	-0.248
3	H	0.129
4	C	0.015
5	O	-0.238
6	H	0.092
7	H	0.092
8	C	-0.150
9	H	0.083
10	H	0.072
11	C	0.028

	x	y	z	Total
	-0.734	0.834	0.097	1.115
CHELPG
AIM
ESP

	x	y	z
x	7.691	-0.207	0.039
y	-0.207	7.709	-0.029
z	0.039	-0.029	5.251

<r²>	93.391
(<r²>)^1/2	9.664

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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