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	hartrees
Energy at 0K	-214.916345
Energy at 298.15K
HF Energy	-214.916345
Nuclear repulsion energy	78.016307

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	3645	3617	12.74	87.02	0.29	0.45
2	A	3021	2998	53.84	76.87	0.44	0.61
3	A	2923	2900	84.20	97.09	0.17	0.29
4	A	1498	1486	2.94	10.64	0.72	0.84
5	A	1426	1415	47.22	8.66	0.75	0.86
6	A	1368	1357	15.66	7.25	0.74	0.85
7	A	1223	1214	5.43	10.51	0.71	0.83
8	A	1087	1078	79.89	4.70	0.26	0.41
9	A	1036	1028	139.08	1.48	0.52	0.69
10	A	973	965	125.17	3.44	0.49	0.66
11	A	519	515	38.42	2.28	0.63	0.78
12	A	384	381	103.56	6.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.014	0.513	0.049
F2	1.153	-0.310	-0.029
O3	-1.164	-0.218	-0.118
H4	0.065	1.029	1.028
H5	0.050	1.238	-0.780
H6	-1.263	-0.805	0.659

	C1	F2	O3	H4	H5	H6
C1		1.4069	1.3968	1.1078	1.1016	1.9335
F2	1.4069		2.3207	2.0233	2.0438	2.5598
O3	1.3968	2.3207		2.0929	2.0075	0.9783
H4	1.1078	2.0233	2.0929		1.8193	2.2943
H5	1.1016	2.0438	2.0075	1.8193		2.8218
H6	1.9335	2.5598	0.9783	2.2943	2.8218

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.685	F2	C1	O3	111.728
F2	C1	H4	106.537	F2	C1	H5	108.512
O3	C1	H4	112.851	O3	C1	H5	106.334
H4	C1	H5	110.858

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.287
2	F	-0.290
3	O	-0.465
4	H	0.071
5	H	0.096
6	H	0.301

	x	y	z	Total
	-0.627	0.510	1.394	1.611
CHELPG
AIM
ESP

	x	y	z
x	2.597	0.257	-0.055
y	0.257	2.512	-0.211
z	-0.055	-0.211	2.426

<r²>	43.277
(<r²>)^1/2	6.579

All results from a given calculation for CH2FOH (fluoromethanol)

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

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)