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	hartrees
Energy at 0K	-214.949982
Energy at 298.15K
HF Energy	-214.949982
Nuclear repulsion energy	78.429948

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	3727	3727	34.26	83.64	0.18	0.31
2	A	3062	3062	33.23	70.78	0.47	0.64
3	A	2970	2970	62.48	123.85	0.10	0.18
4	A	1490	1490	1.61	3.95	0.73	0.85
5	A	1403	1403	25.66	1.93	0.70	0.82
6	A	1369	1369	11.80	2.66	0.38	0.55
7	A	1231	1231	6.94	3.44	0.55	0.71
8	A	1092	1092	93.29	6.02	0.11	0.20
9	A	1035	1035	106.69	0.31	0.40	0.57
10	A	930	930	200.33	3.94	0.43	0.60
11	A	521	521	23.36	1.21	0.48	0.64
12	A	390	390	103.82	1.90	0.73	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.009	0.513	0.046
F2	1.149	-0.310	-0.024
O3	-1.152	-0.223	-0.121
H4	0.062	1.016	1.021
H5	0.068	1.221	-0.785
H6	-1.309	-0.748	0.675

	C1	F2	O3	H4	H5	H6
C1		1.4073	1.3851	1.0981	1.0930	1.9295
F2	1.4073		2.3044	2.0078	2.0226	2.5922
O3	1.3851	2.3044		2.0766	2.0030	0.9666
H4	1.0981	2.0078	2.0766		1.8171	2.2603
H5	1.0930	2.0226	2.0030	1.8171		2.8109
H6	1.9295	2.5922	0.9666	2.2603	2.8109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.968	F2	C1	O3	111.228
F2	C1	H4	105.871	F2	C1	H5	107.324
O3	C1	H4	112.991	O3	C1	H5	107.273
H4	C1	H5	112.060

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B97D3/daug-cc-pVTZ

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	0.618
2	F	-0.750
3	O	-0.768
4	H	0.368
5	H	0.354
6	H	0.177

	x	y	z	Total
	-0.874	0.841	1.418	1.866
CHELPG
AIM
ESP

	x	y	z
x	3.737	0.129	-0.040
y	0.129	3.413	-0.047
z	-0.040	-0.047	3.211

<r²>	43.299
(<r²>)^1/2	6.580

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B97D3/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)