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	hartrees
Energy at 0K	-214.795774
Energy at 298.15K
HF Energy	-214.795774
Nuclear repulsion energy	79.450746

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	3839	3679	23.96	74.01	0.32	0.48
2	A	3155	3024	47.25	71.03	0.46	0.63
3	A	3048	2921	82.14	99.73	0.16	0.27
4	A	1545	1481	3.47	7.73	0.74	0.85
5	A	1482	1420	51.84	6.87	0.75	0.86
6	A	1423	1364	16.89	6.17	0.74	0.85
7	A	1286	1233	7.62	7.52	0.73	0.84
8	A	1181	1132	164.16	2.71	0.29	0.45
9	A	1095	1049	108.35	1.97	0.44	0.61
10	A	1040	996	136.06	2.85	0.59	0.74
11	A	563	540	55.04	1.91	0.63	0.77
12	A	421	403	129.76	4.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.014	0.506	0.048
F2	1.128	-0.308	-0.028
O3	-1.139	-0.212	-0.116
H4	0.071	1.010	1.022
H5	0.063	1.222	-0.773
H6	-1.257	-0.797	0.637

	C1	F2	O3	H4	H5	H6
C1		1.3813	1.3687	1.0973	1.0906	1.9138
F2	1.3813		2.2707	1.9889	2.0075	2.5240
O3	1.3687	2.2707		2.0616	1.9833	0.9610
H4	1.0973	1.9889	2.0616		1.8069	2.2752
H5	1.0906	2.0075	1.9833	1.8069		2.7945
H6	1.9138	2.5240	0.9610	2.2752	2.7945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.212	F2	C1	O3	111.318
F2	C1	H4	106.160	F2	C1	H5	108.030
O3	C1	H4	112.981	O3	C1	H5	106.954
H4	C1	H5	111.346

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: PBE1PBE/6-311G*

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	0.020
2	F	-0.273
3	O	-0.535
4	H	0.184
5	H	0.207
6	H	0.398

	x	y	z	Total
	-0.707	0.620	1.574	1.833
CHELPG
AIM
ESP

	x	y	z
x	2.444	0.211	-0.044
y	0.211	2.386	-0.159
z	-0.044	-0.159	2.276

<r²>	42.163
(<r²>)^1/2	6.493

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: PBE1PBE/6-311G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)