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	hartrees
Energy at 0K	-213.664554
Energy at 298.15K
HF Energy	-213.664554
Nuclear repulsion energy	76.784292

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	3400	3400	1.88	96.53	0.32	0.48
2	A	3055	3055	59.02	86.04	0.39	0.56
3	A	2933	2933	103.89	95.11	0.22	0.36
4	A	1551	1551	1.95	15.03	0.71	0.83
5	A	1444	1444	32.57	11.07	0.74	0.85
6	A	1391	1391	12.80	10.12	0.75	0.86
7	A	1240	1240	7.03	13.17	0.72	0.84
8	A	1056	1056	3.74	6.44	0.39	0.56
9	A	1014	1014	206.14	1.61	0.75	0.86
10	A	970	970	83.75	3.33	0.24	0.38
11	A	518	518	79.13	3.16	0.68	0.81
12	A	391	391	95.58	8.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.018	0.518	0.051
F2	1.177	-0.312	-0.031
O3	-1.190	-0.217	-0.117
H4	0.070	1.044	1.021
H5	0.027	1.238	-0.775
H6	-1.281	-0.846	0.656

	C1	F2	O3	H4	H5	H6
C1		1.4282	1.4245	1.1049	1.0962	1.9788
F2	1.4282		2.3713	2.0430	2.0693	2.6082
O3	1.4245	2.3713		2.1153	2.0078	1.0006
H4	1.1049	2.0430	2.1153		1.8076	2.3524
H5	1.0962	2.0693	2.0078	1.8076		2.8465
H6	1.9788	2.6082	1.0006	2.3524	2.8465

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.092	F2	C1	O3	112.455
F2	C1	H4	106.825	F2	C1	H5	109.412
O3	C1	H4	112.893	O3	C1	H5	104.847
H4	C1	H5	110.418

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B97D3/3-21G*

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	0.099
2	F	-0.294
3	O	-0.543
4	H	0.176
5	H	0.213
6	H	0.350

	x	y	z	Total
	-0.594	0.584	1.568	1.776
CHELPG
AIM
ESP

	x	y	z
x	2.279	0.271	-0.049
y	0.271	2.147	-0.265
z	-0.049	-0.265	2.027

<r²>	44.394
(<r²>)^1/2	6.663

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B97D3/3-21G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)