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	hartrees
Energy at 0K	-214.855922
Energy at 298.15K
HF Energy	-214.855922
Nuclear repulsion energy	79.361088

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	3855	3708	50.81	73.23	0.18	0.31
2	A	3130	3010	27.66	64.30	0.46	0.63
3	A	3042	2926	56.07	117.55	0.09	0.17
4	A	1526	1468	1.32	3.70	0.73	0.84
5	A	1439	1384	25.50	1.37	0.74	0.85
6	A	1398	1345	17.06	2.52	0.48	0.65
7	A	1267	1219	6.78	3.15	0.56	0.72
8	A	1161	1117	142.68	4.32	0.13	0.23
9	A	1069	1028	114.81	1.22	0.17	0.30
10	A	1019	980	143.56	3.54	0.49	0.66
11	A	546	525	25.54	1.09	0.50	0.67
12	A	385	370	112.94	1.70	0.73	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.015	0.507	0.046
F2	1.129	-0.310	-0.024
O3	-1.137	-0.217	-0.120
H4	0.065	1.011	1.017
H5	0.075	1.220	-0.776
H6	-1.294	-0.754	0.661

	C1	F2	O3	H4	H5	H6
C1		1.3840	1.3709	1.0945	1.0896	1.9186
F2	1.3840		2.2707	1.9903	2.0043	2.5573
O3	1.3709	2.2707		2.0607	1.9909	0.9603
H4	1.0945	1.9903	2.0607		1.8048	2.2561
H5	1.0896	2.0043	1.9909	1.8048		2.7987
H6	1.9186	2.5573	0.9603	2.2561	2.7987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.510	F2	C1	O3	111.020
F2	C1	H4	106.247	F2	C1	H5	107.646
O3	C1	H4	112.927	O3	C1	H5	107.469
H4	C1	H5	111.445

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: HSEh1PBE/aug-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	0.075
2	F	-0.382
3	O	-0.370
4	H	0.242
5	H	0.274
6	H	0.161

	x	y	z	Total
	-0.808	0.828	1.447	1.853
CHELPG
AIM
ESP

	x	y	z
x	3.448	0.123	-0.037
y	0.123	3.208	-0.053
z	-0.037	-0.053	3.026

<r²>	42.445
(<r²>)^1/2	6.515

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)