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	hartrees
Energy at 0K	-214.921205
Energy at 298.15K
HF Energy	-214.921205
Nuclear repulsion energy	79.116251

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	3869	3869	61.04	65.82	0.18	0.31
2	A	3175	3175	24.82	61.55	0.51	0.67
3	A	3084	3084	51.18	122.26	0.09	0.16
4	A	1512	1512	1.99	3.38	0.74	0.85
5	A	1436	1436	32.77	1.41	0.73	0.85
6	A	1389	1389	17.07	2.37	0.55	0.71
7	A	1262	1262	6.91	3.19	0.59	0.74
8	A	1178	1178	160.51	4.04	0.15	0.26
9	A	1077	1077	132.45	2.32	0.22	0.36
10	A	1036	1036	94.95	2.98	0.55	0.71
11	A	545	545	30.36	1.04	0.51	0.68
12	A	378	378	114.96	1.79	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.015	0.514	0.048
F2	1.129	-0.313	-0.026
O3	-1.140	-0.217	-0.119
H4	0.069	1.014	1.025
H5	0.076	1.226	-0.781
H6	-1.278	-0.776	0.654

	C1	F2	O3	H4	H5	H6
C1		1.3892	1.3770	1.0987	1.0941	1.9246
F2	1.3892		2.2723	1.9969	2.0118	2.5431
O3	1.3770	2.2723		2.0697	1.9996	0.9639
H4	1.0987	1.9969	2.0697		1.8185	2.2701
H5	1.0941	2.0118	1.9996	1.8185		2.8107
H6	1.9246	2.5431	0.9639	2.2701	2.8107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.331	F2	C1	O3	110.455
F2	C1	H4	106.178	F2	C1	H5	107.623
O3	C1	H4	112.954	O3	C1	H5	107.480
H4	C1	H5	112.049

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: M06-2X/aug-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	1.254
2	F	-0.409
3	O	-0.362
4	H	-0.284
5	H	-0.323
6	H	0.124

	x	y	z	Total
	-0.760	0.886	1.461	1.870
CHELPG
AIM
ESP

	x	y	z
x	3.306	0.116	-0.036
y	0.116	3.104	-0.059
z	-0.036	-0.059	2.935

<r²>	42.597
(<r²>)^1/2	6.527

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)