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	hartrees
Energy at 0K	-214.760624
Energy at 298.15K
HF Energy	-214.760624
Nuclear repulsion energy	79.364019

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	3871	3694	34.59	75.70	0.29	0.45
2	A	3133	2990	50.51	71.28	0.46	0.63
3	A	3034	2895	79.48	96.81	0.15	0.27
4	A	1548	1477	2.96	9.82	0.72	0.84
5	A	1475	1408	52.57	7.16	0.75	0.86
6	A	1410	1345	20.11	6.62	0.75	0.86
7	A	1276	1218	4.58	9.39	0.71	0.83
8	A	1181	1127	157.27	3.18	0.31	0.48
9	A	1100	1050	149.87	3.19	0.32	0.49
10	A	1054	1006	65.68	2.25	0.66	0.80
11	A	551	526	40.83	1.86	0.65	0.79
12	A	391	373	122.58	4.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.018	0.505	0.048
F2	1.128	-0.309	-0.028
O3	-1.142	-0.212	-0.116
H4	0.068	1.018	1.020
H5	0.061	1.230	-0.770
H6	-1.249	-0.798	0.641

	C1	F2	O3	H4	H5	H6
C1		1.3786	1.3732	1.0999	1.0938	1.9113
F2	1.3786		2.2740	1.9955	2.0137	2.5175
O3	1.3732	2.2740		2.0655	1.9884	0.9634
H4	1.0999	1.9955	2.0655		1.8019	2.2749
H5	1.0938	2.0137	1.9884	1.8019		2.7962
H6	1.9113	2.5175	0.9634	2.2749	2.7962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.499	F2	C1	O3	111.455
F2	C1	H4	106.703	F2	C1	H5	108.527
O3	C1	H4	112.803	O3	C1	H5	106.867
H4	C1	H5	110.448

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: HSEh1PBE/6-31G**

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	0.277
2	F	-0.317
3	O	-0.517
4	H	0.101
5	H	0.128
6	H	0.329

	x	y	z	Total
	-0.610	0.553	1.459	1.675
CHELPG
AIM
ESP

	x	y	z
x	2.407	0.230	-0.042
y	0.230	2.392	-0.181
z	-0.042	-0.181	2.334

<r²>	42.069
(<r²>)^1/2	6.486

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)