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	hartrees
Energy at 0K	-231.017072
Energy at 298.15K	-231.024092
Nuclear repulsion energy	173.547327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3182	3160	5.10
2	A	3150	3128	3.14
3	A	3037	3016	30.03
4	A	2993	2972	33.57
5	A	2967	2947	37.73
6	A	2942	2921	42.16
7	A	1629	1618	56.53
8	A	1464	1454	0.98
9	A	1443	1433	0.56
10	A	1356	1347	3.42
11	A	1275	1266	1.01
12	A	1256	1247	8.82
13	A	1205	1197	8.88
14	A	1166	1158	7.26
15	A	1127	1119	55.03
16	A	1057	1050	37.58
17	A	1035	1028	6.07
18	A	981	975	3.68
19	A	917	911	18.02
20	A	899	893	35.71
21	A	873	867	5.10
22	A	820	814	1.70
23	A	812	806	5.68
24	A	682	677	33.72
25	A	669	665	6.26
26	A	445	442	19.08
27	A	77	76	0.77

Atom	x (Å)	y (Å)	z (Å)
H1	0.890	2.152	0.078
C2	0.488	1.145	0.042
H3	2.282	-0.128	0.019
C4	1.204	0.016	0.009
O5	0.481	-1.145	-0.065
H6	-1.412	1.113	-1.019
H7	-1.590	1.236	0.737
C8	-0.979	0.787	-0.059
H9	-1.488	-1.285	-0.707
H10	-1.265	-1.096	1.057
C11	-0.924	-0.753	0.068

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0852	2.6725	2.1606	3.3254	2.7545	2.7253	2.3187	4.2530	4.0186	3.4248
C2	1.0852		2.2002	1.3375	2.2922	2.1770	2.1932	1.5131	3.2204	3.0200	2.3653
H3	2.6725	2.2002		1.0881	2.0700	4.0333	4.1679	3.3875	4.0095	3.8200	3.2663
C4	2.1606	1.3375	1.0881		1.3691	3.0174	3.1344	2.3154	3.0737	2.9026	2.2626
O5	3.3254	2.2922	2.0700	1.3691		3.0968	3.2555	2.4206	2.0750	2.0755	1.4641
H6	2.7545	2.1770	4.0333	3.0174	3.0968		1.7699	1.1032	2.4195	3.0345	2.2139
H7	2.7253	2.1932	4.1679	3.1344	3.2555	1.7699		1.0998	2.9073	2.3752	2.2012
C8	2.3187	1.5131	3.3875	2.3154	2.4206	1.1032	1.0998		2.2299	2.2065	1.5455
H9	4.2530	3.2204	4.0095	3.0737	2.0750	2.4195	2.9073	2.2299		1.7879	1.0966
H10	4.0186	3.0200	3.8200	2.9026	2.0755	3.0345	2.3752	2.2065	1.7879		1.1006
C11	3.4248	2.3653	3.2663	2.2626	1.4641	2.2139	2.2012	1.5455	1.0966	1.1006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.891	H1	C2	C8	125.544
C2	C4	H3	129.933	C2	C4	O5	115.748
C2	C8	H6	111.672	C2	C8	H7	113.196
C2	C8	C11	101.300	H3	C4	O5	114.314
C4	C2	C8	108.480	C4	O5	C11	105.942
O5	C11	C8	107.055	O5	C11	H9	107.385
O5	C11	H10	107.199	H6	C8	H7	106.913
H6	C8	C11	112.331	H7	C8	C11	111.527
C8	C11	H9	114.043	C8	C11	H10	111.899
H9	C11	H10	108.926

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

using model chemistry: PBEPBE/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	-0.219
3	H	0.109
4	C	0.015
5	O	-0.213
6	H	0.085
7	H	0.085
8	C	-0.139
9	H	0.080
10	H	0.070
11	C	0.021

	x	y	z	Total
	-0.815	0.711	0.075	1.084
CHELPG
AIM
ESP

	x	y	z
x	8.087	-0.153	0.039
y	-0.153	8.023	-0.028
z	0.039	-0.028	5.398

<r²>	94.921
(<r²>)^1/2	9.743

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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