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	hartrees
Energy at 0K	-214.944061
Energy at 298.15K
HF Energy	-214.944061
Nuclear repulsion energy	77.603584

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	3657	3638	31.81	80.81	0.23	0.38
2	A	3070	3054	29.18	73.57	0.53	0.69
3	A	2969	2953	59.35	110.16	0.14	0.25
4	A	1481	1473	3.07	7.21	0.74	0.85
5	A	1390	1383	32.61	6.25	0.74	0.85
6	A	1345	1337	9.81	4.33	0.69	0.82
7	A	1206	1200	6.24	5.97	0.66	0.79
8	A	1079	1073	110.08	5.43	0.16	0.28
9	A	1023	1018	100.62	0.75	0.67	0.80
10	A	892	887	213.82	4.86	0.39	0.56
11	A	510	507	44.82	1.47	0.54	0.70
12	A	400	398	118.82	2.82	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	0.523	0.049
F2	1.163	-0.311	-0.027
O3	-1.164	-0.224	-0.120
H4	0.065	1.020	1.033
H5	0.058	1.232	-0.788
H6	-1.294	-0.795	0.663

	C1	F2	O3	H4	H5	H6
C1		1.4307	1.3953	1.1035	1.0980	1.9483
F2	1.4307		2.3297	2.0246	2.0446	2.5970
O3	1.3953	2.3297		2.0939	2.0142	0.9783
H4	1.1035	2.0246	2.0939		1.8324	2.2970
H5	1.0980	2.0446	2.0142	1.8324		2.8357
H6	1.9483	2.5970	0.9783	2.2970	2.8357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.065	F2	C1	O3	111.047
F2	C1	H4	105.324	F2	C1	H5	107.175
O3	C1	H4	113.336	O3	C1	H5	107.166
H4	C1	H5	112.672

All results from a given calculation for CH₂FOH (fluoromethanol)

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

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	0.179
2	F	-0.329
3	O	-0.455
4	H	0.123
5	H	0.138
6	H	0.344

	x	y	z	Total
	-0.921	0.902	1.570	2.031
CHELPG
AIM
ESP

	x	y	z
x	3.409	0.140	-0.028
y	0.140	3.030	-0.046
z	-0.028	-0.046	2.824

<r²>	44.217
(<r²>)^1/2	6.650

All results from a given calculation for CH2FOH (fluoromethanol)

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

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)