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	hartrees
Energy at 0K	-214.174121
Energy at 298.15K
HF Energy	-213.819676
Nuclear repulsion energy	76.626562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3640	3508	17.17
2	A	3171	3056	32.27
3	A	3055	2944	52.68
4	A	1570	1513	1.73
5	A	1458	1405	40.77
6	A	1402	1351	14.35
7	A	1243	1197	6.71
8	A	1084	1045	67.75
9	A	1051	1013	156.00
10	A	973	937	107.47
11	A	514	495	109.16
12	A	394	380	128.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.008	0.534	0.050
F2	1.180	-0.317	-0.028
O3	-1.184	-0.220	-0.113
H4	0.069	1.036	1.026
H5	0.046	1.237	-0.785
H6	-1.311	-0.860	0.618

	C1	F2	O3	H4	H5	H6
C1		1.4505	1.4202	1.0997	1.0924	2.0014
F2	1.4505		2.3672	2.0439	2.0679	2.6297
O3	1.4202	2.3672		2.1090	2.0221	0.9793
H4	1.0997	2.0439	2.1090		1.8230	2.3805
H5	1.0924	2.0679	2.0221	1.8230		2.8648
H6	2.0014	2.6297	0.9793	2.3805	2.8648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	111.725	F2	C1	O3	111.097
F2	C1	H4	105.716	F2	C1	H5	107.990
O3	C1	H4	113.020	O3	C1	H5	106.449
H4	C1	H5	112.533

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: QCISD/6-31G

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 CH2FOH (fluoromethanol)

using model chemistry: QCISD/6-31G

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)