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	hartrees
Energy at 0K	-214.965002
Energy at 298.15K
HF Energy	-214.965002
Nuclear repulsion energy	78.489539

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	3733	3733	35.09	83.16	0.18	0.31
2	A	3058	3058	33.59	70.86	0.46	0.63
3	A	2966	2966	63.09	123.84	0.10	0.18
4	A	1492	1492	1.62	3.95	0.73	0.85
5	A	1406	1406	24.61	1.86	0.71	0.83
6	A	1371	1371	12.63	2.67	0.40	0.57
7	A	1233	1233	7.13	3.38	0.55	0.71
8	A	1093	1093	92.36	5.92	0.12	0.21
9	A	1037	1037	108.17	0.30	0.42	0.59
10	A	929	929	200.70	3.92	0.44	0.61
11	A	522	522	23.39	1.21	0.48	0.65
12	A	391	391	103.88	1.91	0.73	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.009	0.512	0.046
F2	1.148	-0.310	-0.024
O3	-1.151	-0.222	-0.121
H4	0.061	1.016	1.020
H5	0.068	1.221	-0.784
H6	-1.309	-0.747	0.674

	C1	F2	O3	H4	H5	H6
C1		1.4063	1.3835	1.0979	1.0927	1.9283
F2	1.4063		2.3028	2.0069	2.0217	2.5917
O3	1.3835	2.3028		2.0751	2.0018	0.9655
H4	1.0979	2.0069	2.0751		1.8159	2.2597
H5	1.0927	2.0217	2.0018	1.8159		2.8094
H6	1.9283	2.5917	0.9655	2.2597	2.8094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.059	F2	C1	O3	111.270
F2	C1	H4	105.876	F2	C1	H5	107.330
O3	C1	H4	112.996	O3	C1	H5	107.296
H4	C1	H5	111.978

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B97D3/aug-cc-pVQZ

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	0.154
2	F	-0.497
3	O	-0.543
4	H	0.255
5	H	0.323
6	H	0.307

	x	y	z	Total
	-0.876	0.838	1.418	1.865
CHELPG
AIM
ESP

	x	y	z
x	3.716	0.129	-0.040
y	0.129	3.397	-0.047
z	-0.040	-0.047	3.195

<r²>	43.246
(<r²>)^1/2	6.576

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B97D3/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)