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	hartrees
Energy at 0K	-214.811034
Energy at 298.15K
HF Energy	-214.811034
Nuclear repulsion energy	77.819914

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	3731	3731	31.01	89.83	0.31	0.48
2	A	3227	3227	29.37	70.19	0.46	0.63
3	A	3111	3111	54.29	98.83	0.15	0.26
4	A	1571	1571	0.97	11.91	0.73	0.84
5	A	1475	1475	29.81	8.55	0.75	0.85
6	A	1391	1391	15.12	9.75	0.74	0.85
7	A	1261	1261	5.85	10.83	0.73	0.84
8	A	1142	1142	162.07	4.33	0.32	0.49
9	A	1072	1072	125.78	4.46	0.47	0.64
10	A	1025	1025	88.78	4.30	0.37	0.54
11	A	524	524	84.27	2.76	0.68	0.81
12	A	379	379	164.65	7.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.012	0.525	0.050
F2	1.157	-0.315	-0.028
O3	-1.163	-0.214	-0.112
H4	0.070	1.025	1.019
H5	0.052	1.229	-0.775
H6	-1.303	-0.856	0.607

	C1	F2	O3	H4	H5	H6
C1		1.4224	1.3971	1.0926	1.0855	1.9864
F2	1.4224		2.3236	2.0183	2.0404	2.5973
O3	1.3971	2.3236		2.0827	1.9998	0.9747
H4	1.0926	2.0183	2.0827		1.8062	2.3655
H5	1.0855	2.0404	1.9998	1.8062		2.8455
H6	1.9864	2.5973	0.9747	2.3655	2.8455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	112.542	F2	C1	O3	110.993
F2	C1	H4	105.991	F2	C1	H5	108.143
O3	C1	H4	112.982	O3	C1	H5	106.652
H4	C1	H5	112.042

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: M06-2X/6-31G

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	0.247
2	F	-0.369
3	O	-0.619
4	H	0.155
5	H	0.188
6	H	0.397

	x	y	z	Total
	-0.753	0.872	1.792	2.130
CHELPG
AIM
ESP

	x	y	z
x	2.276	0.229	-0.038
y	0.229	2.156	-0.225
z	-0.038	-0.225	2.035

<r²>	43.713
(<r²>)^1/2	6.612

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: M06-2X/6-31G

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)