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	hartrees
Energy at 0K	-268.575947
Energy at 298.15K
HF Energy	-267.685010
Nuclear repulsion energy	222.184085

Atom	x (Å)	y (Å)	z (Å)
O1	1.038	-0.248	0.000
C2	0.000	0.648	0.000
C3	0.488	-1.501	0.000
C4	-1.186	-0.020	0.000
C5	-0.868	-1.425	0.000
C6	0.373	2.091	0.000
H7	1.185	-2.320	0.000
H8	-2.166	0.428	0.000
H9	-1.555	-2.255	0.000
H10	-0.529	2.700	0.000
H11	0.962	2.341	0.883
H12	0.962	2.341	-0.883

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3710	1.3685	2.2358	2.2402	2.4314	2.0771	3.2742	3.2786	3.3389	2.7369	2.7369
C2	1.3710		2.2040	1.3615	2.2477	1.4903	3.1958	2.1770	3.2930	2.1195	2.1386	2.1386
C3	1.3685	2.2040		2.2357	1.3584	3.5940	1.0753	3.2814	2.1775	4.3230	3.9713	3.9713
C4	2.2358	1.3615	2.2357		1.4409	2.6243	3.3038	1.0773	2.2650	2.7984	3.3124	3.3124
C5	2.2402	2.2477	1.3584	1.4409		3.7288	2.2400	2.2629	1.0769	4.1394	4.2799	4.2799
C6	2.4314	1.4903	3.5940	2.6243	3.7288		4.4848	3.0347	4.7541	1.0889	1.0909	1.0909
H7	2.0771	3.1958	1.0753	3.3038	2.2400	4.4848		4.3341	2.7411	5.3049	4.7494	4.7494
H8	3.2742	2.1770	3.2814	1.0773	2.2629	3.0347	4.3341		2.7520	2.7997	3.7714	3.7714
H9	3.2786	3.2930	2.1775	2.2650	1.0769	4.7541	2.7411	2.7520		5.0600	5.3141	5.3141
H10	3.3389	2.1195	4.3230	2.7984	4.1394	1.0889	5.3049	2.7997	5.0600		1.7702	1.7702
H11	2.7369	2.1386	3.9713	3.3124	4.2799	1.0909	4.7494	3.7714	5.3141	1.7702		1.7667
H12	2.7369	2.1386	3.9713	3.3124	4.2799	1.0909	4.7494	3.7714	5.3141	1.7702	1.7667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	109.816	O1	C2	C6	116.312
O1	C3	C5	110.473	O1	C3	H7	115.889
C2	O1	C3	107.126	C2	C4	C5	106.619
C2	C4	H8	126.021	C2	C6	H10	109.536
C2	C6	H11	110.945	C2	C6	H12	110.945
C3	C5	C6	73.765	C3	C5	H9	126.413
C4	C2	C6	133.872	C4	C5	H9	127.621
C5	C3	H7	133.638	C5	C4	H8	127.360
H10	C6	H11	108.601	H10	C6	H12	108.601
H11	C6	H12	108.145

All results from a given calculation for C₅H₆O (2-methylfuran)

using model chemistry: CCD/6-31+G**

States and conformations

Conformer 1 (C1)

Conformer 2 (CS)

	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 (2-methylfuran)

using model chemistry: CCD/6-31+G**

States and conformations

Conformer 1 (C1)

Conformer 2 (CS)

All results from a given calculation for C₅H₆O (2-methylfuran)