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	hartrees
Energy at 0K	-214.963730
Energy at 298.15K
HF Energy	-214.963730
Nuclear repulsion energy	78.946578

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	3806	3657	26.00	78.89	0.29	0.45
2	A	3112	2990	51.17	71.78	0.45	0.62
3	A	3014	2896	79.74	94.58	0.16	0.28
4	A	1546	1485	3.14	9.95	0.73	0.84
5	A	1473	1415	50.39	7.37	0.75	0.86
6	A	1403	1348	20.35	6.90	0.75	0.86
7	A	1268	1219	6.12	9.41	0.72	0.83
8	A	1148	1103	132.92	3.68	0.28	0.44
9	A	1082	1040	137.44	2.42	0.38	0.55
10	A	1034	993	95.27	2.97	0.55	0.71
11	A	542	520	39.53	1.96	0.64	0.78
12	A	385	370	117.81	5.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.017	0.508	0.049
F2	1.135	-0.310	-0.028
O3	-1.149	-0.214	-0.116
H4	0.067	1.021	1.020
H5	0.058	1.230	-0.772
H6	-1.252	-0.805	0.642

	C1	F2	O3	H4	H5	H6
C1		1.3877	1.3814	1.0998	1.0938	1.9207
F2	1.3877		2.2884	2.0030	2.0210	2.5291
O3	1.3814	2.2884		2.0725	1.9934	0.9672
H4	1.0998	2.0030	2.0725		1.8042	2.2850
H5	1.0938	2.0210	1.9934	1.8042		2.8039
H6	1.9207	2.5291	0.9672	2.2850	2.8039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.445	F2	C1	O3	111.461
F2	C1	H4	106.688	F2	C1	H5	108.482
O3	C1	H4	112.798	O3	C1	H5	106.716
H4	C1	H5	110.662

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B3LYP/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	0.315
2	F	-0.316
3	O	-0.504
4	H	0.081
5	H	0.107
6	H	0.316

	x	y	z	Total
	-0.611	0.559	1.439	1.660
CHELPG
AIM
ESP

	x	y	z
x	2.441	0.236	-0.047
y	0.236	2.413	-0.193
z	-0.047	-0.193	2.340

<r²>	42.447
(<r²>)^1/2	6.515

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)