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	hartrees
Energy at 0K	-215.029211
Energy at 298.15K
HF Energy	-215.029211
Nuclear repulsion energy	77.972989

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	3665	3665	30.33	83.26	0.24	0.39
2	A	3042	3042	33.21	72.29	0.47	0.64
3	A	2952	2952	59.78	115.71	0.12	0.21
4	A	1481	1481	1.95	5.06	0.73	0.84
5	A	1396	1396	25.83	3.90	0.75	0.86
6	A	1360	1360	14.20	3.54	0.71	0.83
7	A	1217	1217	7.18	5.49	0.68	0.81
8	A	1074	1074	75.89	4.81	0.20	0.33
9	A	1024	1024	112.56	0.65	0.67	0.80
10	A	908	908	190.65	3.47	0.53	0.69
11	A	511	511	27.15	1.95	0.57	0.73
12	A	390	390	105.37	3.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.517	0.047
F2	1.157	-0.311	-0.024
O3	-1.158	-0.224	-0.122
H4	0.061	1.020	1.023
H5	0.064	1.225	-0.787
H6	-1.315	-0.757	0.677

	C1	F2	O3	H4	H5	H6
C1		1.4187	1.3921	1.0995	1.0944	1.9413
F2	1.4187		2.3191	2.0172	2.0330	2.6077
O3	1.3921	2.3191		2.0851	2.0090	0.9728
H4	1.0995	2.0172	2.0851		1.8211	2.2739
H5	1.0944	2.0330	2.0090	1.8211		2.8230
H6	1.9413	2.6077	0.9728	2.2739	2.8230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.064	F2	C1	O3	111.190
F2	C1	H4	105.770	F2	C1	H5	107.281
O3	C1	H4	113.101	O3	C1	H5	107.185
H4	C1	H5	112.214

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: BLYP/Def2TZVPP

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	0.130
2	F	-0.243
3	O	-0.291
4	H	0.098
5	H	0.114
6	H	0.192

	x	y	z	Total
	-0.900	0.813	1.448	1.889
CHELPG
AIM
ESP

	x	y	z
x	3.301	0.173	-0.058
y	0.173	3.015	-0.105
z	-0.058	-0.105	2.859

<r²>	43.730
(<r²>)^1/2	6.613

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: BLYP/Def2TZVPP

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)