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	hartrees
Energy at 0K	-229.897113
Energy at 298.15K	-229.904239
Nuclear repulsion energy	172.309158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3317	3167	3.81
2	A	3286	3137	0.75
3	A	3172	3028	30.22
4	A	3119	2978	15.70
5	A	3115	2974	27.97
6	A	3082	2942	28.39
7	A	1696	1619	38.59
8	A	1571	1500	1.06
9	A	1544	1474	0.77
10	A	1407	1343	2.52
11	A	1337	1276	12.24
12	A	1316	1256	14.54
13	A	1288	1230	1.46
14	A	1220	1164	1.82
15	A	1186	1132	28.31
16	A	1085	1036	0.26
17	A	1072	1024	75.23
18	A	1006	960	0.99
19	A	963	919	2.68
20	A	933	891	14.53
21	A	917	875	37.02
22	A	850	812	1.32
23	A	844	806	1.68
24	A	747	713	54.52
25	A	713	680	3.24
26	A	461	440	29.35
27	A	57	54	2.06

Atom	x (Å)	y (Å)	z (Å)
H1	1.085	2.057	0.015
C2	0.605	1.093	0.008
H3	2.267	-0.325	0.004
C4	1.215	-0.090	0.002
O5	0.376	-1.202	-0.012
H6	-1.358	1.309	-0.914
H7	-1.388	1.336	0.862
C8	-0.903	0.888	-0.011
H9	-1.532	-1.065	-0.863
H10	-1.489	-1.034	0.925
C11	-1.016	-0.668	0.013

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0772	2.6591	2.1509	3.3362	2.7190	2.7125	2.3063	4.1675	4.1243	3.4414
C2	1.0772		2.1843	1.3304	2.3070	2.1795	2.1827	1.5218	3.1592	3.1227	2.3938
H3	2.6591	2.1843		1.0782	2.0848	4.0804	4.1056	3.3936	3.9656	3.9313	3.3003
C4	2.1509	1.3304	1.0782		1.3936	3.0679	3.0900	2.3321	3.0397	3.0086	2.3040
O5	3.3362	2.3070	2.0848	1.3936		3.1823	3.2122	2.4505	2.0931	2.0933	1.4904
H6	2.7190	2.1795	4.0804	3.0679	3.1823		1.7769	1.0954	2.3809	2.9819	2.2105
H7	2.7125	2.1827	4.1056	3.0900	3.2122	1.7769		1.0950	2.9595	2.3728	2.2085
C8	2.3063	1.5218	3.3936	2.3321	2.4505	1.0954	1.0950		2.2217	2.2172	1.5610
H9	4.1675	3.1592	3.9656	3.0397	2.0931	2.3809	2.9595	2.2217		1.7887	1.0906
H10	4.1243	3.1227	3.9313	3.0086	2.0933	2.9819	2.3728	2.2172	1.7887		1.0912
C11	3.4414	2.3938	3.3003	2.3040	1.4904	2.2105	2.2085	1.5610	1.0906	1.0912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	126.277	H1	C2	C8	124.205
C2	C4	H3	129.857	C2	C4	O5	115.735
C2	C8	H6	111.731	C2	C8	H7	112.016
C2	C8	C11	101.873	H3	C4	O5	114.408
C4	C2	C8	109.516	C4	O5	C11	106.002
O5	C11	C8	106.827	O5	C11	H9	107.365
O5	C11	H10	107.346	H6	C8	H7	108.431
H6	C8	C11	111.436	H7	C8	C11	111.305
C8	C11	H9	112.623	C8	C11	H10	112.225
H9	C11	H10	110.139

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

using model chemistry: mPW1PW91/3-21G

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	-0.303
3	H	0.246
4	C	0.097
5	O	-0.501
6	H	0.236
7	H	0.236
8	C	-0.497
9	H	0.237
10	H	0.236
11	C	-0.204

	x	y	z	Total
	-0.825	1.187	0.025	1.446
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	95.703
(<r²>)^1/2	9.783

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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