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	hartrees
Energy at 0K	-213.941993
Energy at 298.15K
HF Energy	-213.941993
Nuclear repulsion energy	80.020556

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	4152	3787	77.88	58.89	0.20	0.33
2	A	3311	3020	38.55	56.17	0.48	0.65
3	A	3222	2939	66.51	110.36	0.09	0.16
4	A	1643	1499	2.88	3.12	0.74	0.85
5	A	1560	1423	45.26	0.84	0.75	0.85
6	A	1498	1367	28.24	2.02	0.60	0.75
7	A	1364	1244	11.93	2.69	0.64	0.78
8	A	1246	1136	182.16	5.31	0.19	0.32
9	A	1160	1058	112.19	1.73	0.21	0.35
10	A	1102	1005	137.94	3.47	0.46	0.63
11	A	584	533	32.34	0.99	0.47	0.64
12	A	379	346	128.99	1.24	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.019	0.510	0.047
F2	1.114	-0.312	-0.026
O3	-1.130	-0.210	-0.114
H4	0.072	1.006	1.014
H5	0.083	1.220	-0.769
H6	-1.258	-0.792	0.619

	C1	F2	O3	H4	H5	H6
C1		1.3707	1.3650	1.0886	1.0840	1.9110
F2	1.3707		2.2473	1.9765	1.9905	2.5042
O3	1.3650	2.2473		2.0482	1.9867	0.9442
H4	1.0886	1.9765	2.0482		1.7957	2.2714
H5	1.0840	1.9905	1.9867	1.7957		2.7883
H6	1.9110	2.5042	0.9442	2.2714	2.7883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	110.372	F2	C1	O3	110.465
F2	C1	H4	106.404	F2	C1	H5	107.801
O3	C1	H4	112.701	O3	C1	H5	107.885
H4	C1	H5	111.493

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: HF/daug-cc-pVDZ

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	2.012
2	F	-0.935
3	O	-0.964
4	H	-0.206
5	H	-0.209
6	H	0.301

	x	y	z	Total
	-0.723	0.899	1.481	1.877
CHELPG
AIM
ESP

	x	y	z
x	3.007	0.106	-0.028
y	0.106	2.879	-0.058
z	-0.028	-0.058	2.729

<r²>	41.822
(<r²>)^1/2	6.467

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: HF/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)