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	hartrees
Energy at 0K	-214.891060
Energy at 298.15K
HF Energy	-214.891060
Nuclear repulsion energy	79.713061

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	3886	3701	48.51	63.81	0.28	0.44
2	A	3128	2979	46.79	65.30	0.48	0.65
3	A	3041	2896	67.49	91.46	0.14	0.25
4	A	1543	1470	1.76	8.25	0.74	0.85
5	A	1480	1410	43.50	4.77	0.75	0.86
6	A	1408	1341	23.36	5.47	0.73	0.85
7	A	1288	1227	7.16	7.46	0.71	0.83
8	A	1188	1131	158.81	3.16	0.30	0.47
9	A	1126	1072	139.90	3.66	0.26	0.42
10	A	1064	1014	45.22	1.35	0.74	0.85
11	A	556	529	27.80	1.36	0.59	0.74
12	A	365	348	115.36	3.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.026	0.504	0.048
F2	1.117	-0.312	-0.027
O3	-1.137	-0.210	-0.117
H4	0.072	1.017	1.018
H5	0.074	1.227	-0.771
H6	-1.257	-0.782	0.647

	C1	F2	O3	H4	H5	H6
C1		1.3648	1.3747	1.0982	1.0930	1.9122
F2	1.3648		2.2584	1.9874	2.0020	2.5118
O3	1.3747	2.2584		2.0628	1.9901	0.9611
H4	1.0982	1.9874	2.0628		1.8010	2.2668
H5	1.0930	2.0020	1.9901	1.8010		2.7955
H6	1.9122	2.5118	0.9611	2.2668	2.7955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.602	F2	C1	O3	111.053
F2	C1	H4	107.093	F2	C1	H5	108.577
O3	C1	H4	112.579	O3	C1	H5	106.952
H4	C1	H5	110.552

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: M06-2X/6-31G(2df,p)

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	0.082
2	F	-0.185
3	O	-0.447
4	H	0.100
5	H	0.126
6	H	0.324

	x	y	z	Total
	-0.578	0.580	1.379	1.604
CHELPG
AIM
ESP

	x	y	z
x	2.597	0.203	-0.055
y	0.203	2.603	-0.146
z	-0.055	-0.146	2.559

<r²>	41.759
(<r²>)^1/2	6.462

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)