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	hartrees
Energy at 0K	-214.940460
Energy at 298.15K
HF Energy	-214.940460
Nuclear repulsion energy	79.221183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3806	3664	21.75
2	A	3141	3023	47.09
3	A	3033	2920	82.17
4	A	1541	1484	3.28
5	A	1475	1420	48.74
6	A	1416	1363	16.62
7	A	1279	1231	8.15
8	A	1163	1119	154.84
9	A	1087	1046	99.41
10	A	1019	981	153.94
11	A	557	537	55.75
12	A	421	405	127.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.013	0.508	0.049
F2	1.133	-0.308	-0.028
O3	-1.143	-0.213	-0.116
H4	0.070	1.011	1.022
H5	0.062	1.222	-0.774
H6	-1.263	-0.798	0.639

	C1	F2	O3	H4	H5	H6
C1		1.3873	1.3720	1.0972	1.0905	1.9186
F2	1.3873		2.2789	1.9928	2.0115	2.5340
O3	1.3720	2.2789		2.0646	1.9858	0.9628
H4	1.0972	1.9928	2.0646		1.8080	2.2789
H5	1.0905	2.0115	1.9858	1.8080		2.7986
H6	1.9186	2.5340	0.9628	2.2789	2.7986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.264	F2	C1	O3	111.363
F2	C1	H4	106.075	F2	C1	H5	107.947
O3	C1	H4	113.001	O3	C1	H5	106.940
H4	C1	H5	111.462

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B3PW91/6-311G*

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	0.029
2	F	-0.277
3	O	-0.533
4	H	0.182
5	H	0.204
6	H	0.395

	x	y	z	Total
	-0.727	0.641	1.578	1.852
CHELPG
AIM
ESP

	x	y	z
x	2.471	0.211	-0.045
y	0.211	2.393	-0.160
z	-0.045	-0.160	2.278

<r²>	42.350
(<r²>)^1/2	6.508

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)