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	hartrees
Energy at 0K	-214.753793
Energy at 298.15K
HF Energy	-214.753793
Nuclear repulsion energy	79.310086

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	3830	3682	43.89	73.66	0.29	0.45
2	A	3130	3009	46.32	78.87	0.47	0.64
3	A	3027	2911	77.09	111.85	0.15	0.25
4	A	1509	1451	5.21	8.47	0.72	0.84
5	A	1448	1392	51.90	5.19	0.75	0.85
6	A	1402	1348	11.82	5.06	0.75	0.86
7	A	1260	1212	4.03	7.80	0.71	0.83
8	A	1187	1142	168.81	2.70	0.33	0.50
9	A	1081	1039	133.29	2.55	0.35	0.52
10	A	1041	1001	77.48	2.36	0.70	0.83
11	A	555	533	35.52	1.86	0.64	0.78
12	A	396	380	112.84	4.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.014	0.505	0.048
F2	1.128	-0.309	-0.028
O3	-1.140	-0.215	-0.117
H4	0.070	1.022	1.025
H5	0.063	1.231	-0.778
H6	-1.248	-0.787	0.654

	C1	F2	O3	H4	H5	H6
C1		1.3813	1.3704	1.1066	1.1005	1.9054
F2	1.3813		2.2718	1.9995	2.0168	2.5179
O3	1.3704	2.2718		2.0731	1.9933	0.9663
H4	1.1066	1.9995	2.0731		1.8147	2.2687
H5	1.1005	2.0168	1.9933	1.8147		2.8001
H6	1.9054	2.5179	0.9663	2.2687	2.8001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.008	F2	C1	O3	111.294
F2	C1	H4	106.446	F2	C1	H5	108.179
O3	C1	H4	113.202	O3	C1	H5	107.044
H4	C1	H5	110.609

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: PBE1PBE/cc-pVDZ

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	0.280
2	F	-0.256
3	O	-0.248
4	H	0.024
5	H	0.046
6	H	0.153

	x	y	z	Total
	-0.739	0.615	1.407	1.704
CHELPG
AIM
ESP

	x	y	z
x	2.416	0.217	-0.046
y	0.217	2.369	-0.165
z	-0.046	-0.165	2.281

<r²>	42.085
(<r²>)^1/2	6.487

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)