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	hartrees
Energy at 0K	-211.884795
Energy at 298.15K
HF Energy	-211.884795
Nuclear repulsion energy	75.260699

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	3482	3222	49.08	42.45	0.29	0.45
2	A	3136	2901	23.07	40.29	0.57	0.72
3	A	2999	2775	50.85	44.66	0.20	0.33
4	A	1584	1466	2.22	12.50	0.75	0.85
5	A	1521	1407	20.97	15.13	0.66	0.80
6	A	1435	1328	20.59	3.81	0.74	0.85
7	A	1241	1148	2.75	8.06	0.70	0.83
8	A	1101	1019	52.36	2.77	0.42	0.60
9	A	1040	963	7.25	5.36	0.37	0.54
10	A	984	910	37.26	0.90	0.22	0.37
11	A	473	437	24.08	1.86	0.68	0.81
12	A	365	338	48.07	9.02	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.045	0.527	0.052
F2	1.182	-0.326	-0.035
O3	-1.226	-0.221	-0.123
H4	0.078	1.083	1.047
H5	0.046	1.287	-0.788
H6	-1.218	-0.831	0.727

	C1	F2	O3	H4	H5	H6
C1		1.4241	1.4854	1.1401	1.1323	1.9739
F2	1.4241		2.4121	2.0916	2.1113	2.5685
O3	1.4854	2.4121		2.1838	2.0826	1.0459
H4	1.1401	2.0916	2.1838		1.8460	2.3334
H5	1.1323	2.1113	2.0826	1.8460		2.8948
H6	1.9739	2.5685	1.0459	2.3334	2.8948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	101.053	F2	C1	O3	111.978
F2	C1	H4	108.805	F2	C1	H5	110.834
O3	C1	H4	111.886	O3	C1	H5	104.607
H4	C1	H5	108.647

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: BLYP/STO-3G

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	0.023
2	F	-0.086
3	O	-0.218
4	H	0.054
5	H	0.069
6	H	0.158

	x	y	z	Total
	0.092	0.211	1.062	1.086
CHELPG
AIM
ESP

	x	y	z
x	1.641	0.200	-0.088
y	0.200	1.456	-0.286
z	-0.088	-0.286	1.287

<r²>	44.720
(<r²>)^1/2	6.687

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)