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	hartrees
Energy at 0K	-231.225861
Energy at 298.15K	-231.233069
HF Energy	-231.225861
Nuclear repulsion energy	174.921832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3286	3138	4.07
2	A	3255	3108	1.92
3	A	3148	3007	31.52
4	A	3108	2968	25.03
5	A	3071	2933	42.84
6	A	3053	2916	38.80
7	A	1711	1634	68.77
8	A	1526	1458	1.30
9	A	1502	1435	1.28
10	A	1423	1359	4.61
11	A	1344	1283	1.40
12	A	1317	1258	9.37
13	A	1254	1197	10.48
14	A	1224	1169	15.85
15	A	1186	1133	71.27
16	A	1115	1065	52.22
17	A	1082	1034	4.57
18	A	1023	977	9.63
19	A	961	918	30.89
20	A	945	903	28.96
21	A	936	894	3.37
22	A	859	820	1.46
23	A	846	808	7.15
24	A	724	691	47.07
25	A	696	665	3.11
26	A	459	439	22.45
27	A	97	92	1.26

Atom	x (Å)	y (Å)	z (Å)
H1	1.129	2.019	0.063
C2	0.615	1.073	0.033
H3	2.239	-0.383	0.019
C4	1.193	-0.118	0.009
O5	0.342	-1.177	-0.056
H6	-1.283	1.268	-0.990
H7	-1.415	1.386	0.762
C8	-0.879	0.887	-0.048
H9	-1.598	-1.092	-0.735
H10	-1.394	-0.960	1.024
C11	-0.998	-0.646	0.057

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0776	2.6469	2.1387	3.2943	2.7370	2.7133	2.3080	4.2134	4.0208	3.4099
C2	1.0776		2.1808	1.3231	2.2682	2.1654	2.1797	1.5080	3.1896	3.0249	2.3571
H3	2.6469	2.1808		1.0797	2.0579	4.0186	4.1272	3.3676	3.9743	3.8134	3.2482
C4	2.1387	1.3231	1.0797		1.3603	3.0078	3.1028	2.3032	3.0481	2.9035	2.2541
O5	3.2943	2.2682	2.0579	1.3603		3.0810	3.2137	2.3986	2.0574	2.0564	1.4464
H6	2.7370	2.1654	4.0186	3.0078	3.0810		1.7609	1.0937	2.3942	3.0057	2.1997
H7	2.7133	2.1797	4.1272	3.1028	3.2137	1.7609		1.0917	2.9007	2.3608	2.1906
C8	2.3080	1.5080	3.3676	2.3032	2.3986	1.0937	1.0917		2.2147	2.1969	1.5408
H9	4.2134	3.1896	3.9743	3.0481	2.0574	2.3942	2.9007	2.2147		1.7762	1.0890
H10	4.0208	3.0249	3.8134	2.9035	2.0564	3.0057	2.3608	2.1969	1.7762		1.0917
C11	3.4099	2.3571	3.2482	2.2541	1.4464	2.1997	2.1906	1.5408	1.0890	1.0917

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.652	H1	C2	C8	125.589
C2	C4	H3	130.086	C2	C4	O5	115.394
C2	C8	H6	111.681	C2	C8	H7	112.973
C2	C8	C11	101.264	H3	C4	O5	114.513
C4	C2	C8	108.710	C4	O5	C11	106.812
O5	C11	C8	106.781	O5	C11	H9	107.644
O5	C11	H10	107.407	H6	C8	H7	107.374
H6	C8	C11	112.103	H7	C8	C11	111.495
C8	C11	H9	113.626	C8	C11	H10	111.999
H9	C11	H10	109.085

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

using model chemistry: wB97X-D/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	0.152
2	C	-0.190
3	H	0.132
4	C	-0.049
5	O	-0.217
6	H	0.130
7	H	0.132
8	C	-0.251
9	H	0.125
10	H	0.122
11	C	-0.087

	x	y	z	Total
	-0.793	1.018	0.109	1.295
CHELPG
AIM
ESP

	x	y	z
x	7.504	-0.269	0.028
y	-0.269	7.684	-0.025
z	0.028	-0.025	5.428

<r²>	93.603
(<r²>)^1/2	9.675

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

using model chemistry: wB97X-D/TZVP

States and conformations

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