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	hartrees
Energy at 0K	-228.985478
Energy at 298.15K	-228.992532
HF Energy	-228.509272
Nuclear repulsion energy	170.585095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3305	3155	5.08
2	A	3275	3126	1.02
3	A	3186	3041	36.01
4	A	3143	3000	6.11
5	A	3127	2985	33.34
6	A	3103	2962	23.16
7	A	1644	1570	23.78
8	A	1609	1535	0.15
9	A	1587	1515	1.25
10	A	1415	1351	1.62
11	A	1352	1290	9.12
12	A	1324	1264	14.68
13	A	1301	1242	0.84
14	A	1222	1166	1.70
15	A	1200	1145	15.62
16	A	1105	1054	0.15
17	A	1037	990	80.58
18	A	976	932	1.73
19	A	919	877	4.06
20	A	909	868	14.85
21	A	889	848	27.11
22	A	863	823	0.82
23	A	829	791	1.07
24	A	737	703	42.83
25	A	699	668	3.34
26	A	447	427	27.00
27	A	44	42	2.15

Atom	x (Å)	y (Å)	z (Å)
H1	1.009	2.111	0.001
C2	0.566	1.127	0.001
H3	2.293	-0.232	0.000
C4	1.231	-0.037	0.000
O5	0.431	-1.206	-0.001
H6	-1.434	1.273	-0.892
H7	-1.436	1.275	0.888
C8	-0.948	0.863	-0.001
H9	-1.482	-1.112	-0.894
H10	-1.478	-1.109	0.899
C11	-1.001	-0.713	0.001

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0794	2.6721	2.1603	3.3675	2.7327	2.7318	2.3214	4.1711	4.1674	3.4667
C2	1.0794		2.1983	1.3414	2.3373	2.1942	2.1943	1.5364	3.1634	3.1605	2.4168
H3	2.6721	2.1983		1.0801	2.1019	4.1171	4.1189	3.4210	3.9780	3.9752	3.3291
C4	2.1603	1.3414	1.0801		1.4162	3.1004	3.1020	2.3573	3.0515	3.0490	2.3317
O5	3.3675	2.3373	2.1019	1.4162		3.2274	3.2296	2.4860	2.1126	2.1127	1.5141
H6	2.7327	2.1942	4.1171	3.1004	3.2274		1.7801	1.0947	2.3860	2.9812	2.2204
H7	2.7318	2.1943	4.1189	3.1020	3.2296	1.7801		1.0947	2.9795	2.3852	2.2202
C8	2.3214	1.5364	3.4210	2.3573	2.4860	1.0947	1.0947		2.2323	2.2319	1.5767
H9	4.1711	3.1634	3.9780	3.0515	2.1126	2.3860	2.9795	2.2323		1.7928	1.0915
H10	4.1674	3.1605	3.9752	3.0490	2.1127	2.9812	2.3852	2.2319	1.7928		1.0915
C11	3.4667	2.4168	3.3291	2.3317	1.5141	2.2204	2.2202	1.5767	1.0915	1.0915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	126.008	H1	C2	C8	124.180
C2	C4	H3	130.099	C2	C4	O5	115.872
C2	C8	H6	111.914	C2	C8	H7	111.925
C2	C8	C11	101.845	H3	C4	O5	114.029
C4	C2	C8	109.812	C4	O5	C11	105.399
O5	C11	C8	107.071	O5	C11	H9	107.234
O5	C11	H10	107.236	H6	C8	H7	108.782
H6	C8	C11	111.152	H7	C8	C11	111.133
C8	C11	H9	112.295	C8	C11	H10	112.262
H9	C11	H10	110.426

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

using model chemistry: MP2/3-21G

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	ESP
1	H	0.193	0.146
2	C	-0.277	-0.351
3	H	0.219	0.142
4	C	0.116	0.056
5	O	-0.491	-0.336
6	H	0.205	-0.012
7	H	0.205	-0.012
8	C	-0.438	0.193
9	H	0.202	0.056
10	H	0.202	0.056
11	C	-0.138	0.063

	x	y	z	Total
	-0.831	1.255	0.003	1.505
CHELPG
AIM
ESP	-0.856	1.197	0.002	1.472

	x	y	z
x	6.431	-0.078	0.001
y	-0.078	6.423	0.000
z	0.001	0.000	3.655

<r²>	97.676
(<r²>)^1/2	9.883

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

using model chemistry: MP2/3-21G

States and conformations

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