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	hartrees
Energy at 0K	-215.051019
Energy at 298.15K
HF Energy	-215.051019
Nuclear repulsion energy	78.921391

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	3795	3795	38.64	73.06	0.21	0.35
2	A	3121	3121	29.10	64.70	0.49	0.66
3	A	3030	3030	56.21	110.84	0.11	0.19
4	A	1534	1534	1.48	4.12	0.75	0.86
5	A	1437	1437	24.20	1.75	0.75	0.86
6	A	1393	1393	14.25	2.51	0.56	0.72
7	A	1259	1259	7.49	3.34	0.60	0.75
8	A	1127	1127	114.04	5.37	0.13	0.23
9	A	1057	1057	107.58	0.55	0.33	0.49
10	A	979	979	176.69	3.94	0.46	0.63
11	A	531	531	27.77	1.20	0.48	0.65
12	A	384	384	110.31	1.84	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.013	0.513	0.047
F2	1.137	-0.311	-0.025
O3	-1.144	-0.219	-0.120
H4	0.066	1.011	1.020
H5	0.072	1.219	-0.780
H6	-1.293	-0.761	0.664

	C1	F2	O3	H4	H5	H6
C1		1.3956	1.3792	1.0935	1.0885	1.9259
F2	1.3956		2.2846	1.9958	2.0111	2.5650
O3	1.3792	2.2846		2.0677	1.9950	0.9646
H4	1.0935	1.9958	2.0677		1.8113	2.2614
H5	1.0885	2.0111	1.9950	1.8113		2.8046
H6	1.9259	2.5650	0.9646	2.2614	2.8046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.230	F2	C1	O3	110.835
F2	C1	H4	105.967	F2	C1	H5	107.460
O3	C1	H4	112.971	O3	C1	H5	107.297
H4	C1	H5	112.216

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: TPSSh/6-311+G(3df,2p)

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	0.656
2	F	-0.439
3	O	-0.551
4	H	0.072
5	H	0.073
6	H	0.190

	x	y	z	Total
	-0.816	0.870	1.449	1.877
CHELPG
AIM
ESP

	x	y	z
x	3.475	0.121	-0.037
y	0.121	3.150	-0.047
z	-0.037	-0.047	2.949

<r²>	42.799
(<r²>)^1/2	6.542

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: TPSSh/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)