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 CH₂FCH₂OH (2-fluoroethanol)

using model chemistry: QCISD(T)=FULL/6-311+G(3df,2p)

States and conformations

Geometric Data calculated at QCISD(T)=FULL/6-311+G(3df,2p)

Point Group is C₁

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.680	0.576	0.285
C2	-0.717	0.557	-0.282
O3	1.450	-0.509	-0.190
F4	-1.353	-0.601	0.158
H5	1.185	1.489	-0.035
H6	0.627	0.577	1.379
H7	-1.300	1.413	0.062
H8	-0.697	0.525	-1.372
H9	0.991	-1.317	0.054

Atom - Atom Distances (Å)

	C1	C2	O3	F4	H5	H6	H7	H8	H9
C1		1.5072	1.4125	2.3526	1.0912	1.0958	2.1608	2.1550	1.9318
C2	1.5072		2.4159	1.3929	2.1321	2.1372	1.0916	1.0907	2.5569
O3	1.4125	2.4159		2.8259	2.0209	2.0781	3.3640	2.6597	0.9606
F4	2.3526	1.3929	2.8259		3.2936	2.6083	2.0170	2.0100	2.4529
H5	1.0912	2.1321	2.0209	3.2936		1.7726	2.4881	2.5019	2.8134
H6	1.0958	2.1372	2.0781	2.6083	1.7726		2.4794	3.0541	2.3399
H7	2.1608	1.0916	3.3640	2.0170	2.4881	2.4794		1.7916	3.5632
H8	2.1550	1.0907	2.6597	2.0100	2.5019	3.0541	1.7916		2.8763
H9	1.9318	2.5569	0.9606	2.4529	2.8134	2.3399	3.5632	2.8763

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	F4	108.368		C1	C2	H7	111.493
C1	C2	H8	111.083		C1	O3	H9	107.461
C2	C1	O3	111.638		C2	C1	H5	109.236
C2	C1	H6	109.362		O3	C1	H5	106.942
O3	C1	H6	111.264