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	hartrees
Energy at 0K	-215.017212
Energy at 298.15K
HF Energy	-215.017212
Nuclear repulsion energy	78.006381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3676	3656	34.33	81.06	0.21	0.35
2	A	3039	3022	26.85	68.63	0.49	0.66
3	A	2950	2934	53.63	112.68	0.11	0.20
4	A	1481	1473	1.27	4.37	0.75	0.86
5	A	1390	1382	21.76	2.17	0.74	0.85
6	A	1354	1347	12.55	2.59	0.52	0.69
7	A	1216	1210	7.65	3.54	0.59	0.74
8	A	1073	1067	76.78	5.97	0.13	0.23
9	A	1024	1018	110.15	0.36	0.72	0.83
10	A	897	892	202.89	4.18	0.45	0.62
11	A	510	507	26.52	1.35	0.47	0.64
12	A	384	382	106.44	2.11	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.518	0.047
F2	1.156	-0.311	-0.024
O3	-1.157	-0.224	-0.122
H4	0.063	1.018	1.024
H5	0.066	1.224	-0.786
H6	-1.315	-0.760	0.675

	C1	F2	O3	H4	H5	H6
C1		1.4187	1.3911	1.0988	1.0940	1.9427
F2	1.4187		2.3170	2.0155	2.0312	2.6065
O3	1.3911	2.3170		2.0842	2.0092	0.9728
H4	1.0988	2.0155	2.0842		1.8217	2.2760
H5	1.0940	2.0312	2.0092	1.8217		2.8247
H6	1.9427	2.6065	0.9728	2.2760	2.8247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.254	F2	C1	O3	111.097
F2	C1	H4	105.670	F2	C1	H5	107.172
O3	C1	H4	113.139	O3	C1	H5	107.294
H4	C1	H5	112.356

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: BLYP/6-311+G(3df,2p)

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
1	C	0.414
2	F	-0.410
3	O	-0.519
4	H	0.138
5	H	0.141
6	H	0.235

	x	y	z	Total
	-0.906	0.898	1.453	1.933
CHELPG
AIM
ESP

	x	y	z
x	3.723	0.123	-0.043
y	0.123	3.308	-0.044
z	-0.043	-0.044	3.076

<r²>	43.832
(<r²>)^1/2	6.621

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)