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	hartrees
Energy at 0K	-268.722010
Energy at 298.15K
HF Energy	-267.748282
Nuclear repulsion energy	220.504705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3300	3176
2	A'	3287	3164
3	A'	3261	3138
4	A'	3125	3007
5	A'	3044	2930
6	A'	1646	1584
7	A'	1544	1486
8	A'	1519	1462
9	A'	1441	1387
10	A'	1408	1355
11	A'	1287	1239
12	A'	1280	1232
13	A'	1207	1162
14	A'	1098	1056
15	A'	1052	1013
16	A'	1022	983
17	A'	975	938
18	A'	888	854
19	A'	638	614
20	A'	316	304
21	A"	3108	2991
22	A"	1483	1428
23	A"	1054	1014
24	A"	700	673
25	A"	686	660
26	A"	597	575
27	A"	567	546
28	A"	220	212
29	A"	121	117
30	A"	321i	309i

Atom	x (Å)	y (Å)	z (Å)
O1	-0.700	-1.466	0.000
C2	-1.081	-0.149	0.000
C3	0.667	-1.466	0.000
C4	0.000	0.680	0.000
C5	1.150	-0.194	0.000
C6	0.000	2.181	0.000
H7	-2.145	0.030	0.000
H8	1.135	-2.437	0.000
H9	2.191	0.097	0.000
H10	-1.023	2.568	0.000
H11	0.510	2.575	0.885
H12	0.510	2.575	-0.885

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3716	1.3672	2.2576	2.2454	3.7140	2.0800	2.0755	3.2860	4.0467	4.3100	4.3100
C2	1.3716		2.1892	1.3623	2.2320	2.5686	1.0784	3.1853	3.2808	2.7169	3.2759	3.2759
C3	1.3672	2.1892		2.2477	1.3607	3.7079	3.1853	1.0777	2.1824	4.3734	4.1397	4.1397
C4	2.2576	1.3623	2.2477		1.4450	1.5011	2.2409	3.3175	2.2668	2.1466	2.1523	2.1523
C5	2.2454	2.2320	1.3607	1.4450		2.6392	3.3027	2.2433	1.0800	3.5141	2.9767	2.9767
C6	3.7140	2.5686	3.7079	1.5011	2.6392		3.0375	4.7558	3.0237	1.0932	1.0942	1.0942
H7	2.0800	1.0784	3.1853	2.2409	3.3027	3.0375		4.1037	4.3356	2.7744	3.7820	3.7820
H8	2.0755	3.1853	1.0777	3.3175	2.2433	4.7558	4.1037		2.7454	5.4499	5.1279	5.1279
H9	3.2860	3.2808	2.1824	2.2668	1.0800	3.0237	4.3356	2.7454		4.0532	3.1223	3.1223
H10	4.0467	2.7169	4.3734	2.1466	3.5141	1.0932	2.7744	5.4499	4.0532		1.7693	1.7693
H11	4.3100	3.2759	4.1397	2.1523	2.9767	1.0942	3.7820	5.1279	3.1223	1.7693		1.7694
H12	4.3100	3.2759	4.1397	2.1523	2.9767	1.0942	3.7820	5.1279	3.1223	1.7693	1.7694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	111.337	O1	C2	H7	115.686
O1	C3	C5	110.802	O1	C3	H8	115.679
C2	O1	C3	106.134	C2	C4	C5	105.291
C2	C4	C6	127.479	C3	C5	C4	106.436
C3	C5	H9	126.427	C4	C2	H7	132.977
C4	C5	H9	127.137	C4	C6	H10	110.692
C4	C6	H11	111.088	C4	C6	H12	111.088
C5	C3	H8	133.520	C5	C4	C6	127.230
H10	C6	H11	107.969	H10	C6	H12	107.969
H11	C6	H12	107.902

All results from a given calculation for C₅H₆O (3-Methylfuran)

using model chemistry: CCSD(T)/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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All results from a given calculation for C5H6O (3-Methylfuran)

using model chemistry: CCSD(T)/TZVP

States and conformations

All results from a given calculation for C₅H₆O (3-Methylfuran)