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	hartrees
Energy at 0K	-214.844162
Energy at 298.15K
HF Energy	-214.844162
Nuclear repulsion energy	77.664596

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	3712	3514	22.07	89.77	0.31	0.47
2	A	3224	3052	32.96	71.48	0.46	0.63
3	A	3099	2933	62.44	101.83	0.15	0.26
4	A	1568	1484	0.80	11.38	0.71	0.83
5	A	1467	1389	27.05	8.81	0.75	0.86
6	A	1396	1322	13.20	8.90	0.74	0.85
7	A	1255	1188	5.41	10.70	0.72	0.84
8	A	1122	1063	131.26	4.36	0.26	0.41
9	A	1060	1003	131.34	3.12	0.65	0.79
10	A	993	940	114.64	4.85	0.34	0.51
11	A	524	496	100.20	3.03	0.67	0.80
12	A	406	384	134.45	7.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.523	0.049
F2	1.164	-0.312	-0.027
O3	-1.166	-0.217	-0.114
H4	0.067	1.025	1.019
H5	0.046	1.227	-0.776
H6	-1.308	-0.843	0.618

	C1	F2	O3	H4	H5	H6
C1		1.4293	1.3959	1.0931	1.0856	1.9789
F2	1.4293		2.3336	2.0214	2.0444	2.6094
O3	1.3959	2.3336		2.0840	1.9975	0.9736
H4	1.0931	2.0214	2.0840		1.8063	2.3530
H5	1.0856	2.0444	1.9975	1.8063		2.8388
H6	1.9789	2.6094	0.9736	2.3530	2.8388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	112.031	F2	C1	O3	111.372
F2	C1	H4	105.753	F2	C1	H5	107.979
O3	C1	H4	113.148	O3	C1	H5	106.548
H4	C1	H5	112.002

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: mPW1PW91/6-31G

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	0.205
2	F	-0.356
3	O	-0.601
4	H	0.164
5	H	0.196
6	H	0.393

	x	y	z	Total
	-0.816	0.860	1.778	2.137
CHELPG
AIM
ESP

	x	y	z
x	2.359	0.229	-0.037
y	0.229	2.162	-0.216
z	-0.037	-0.216	2.031

<r²>	43.820
(<r²>)^1/2	6.620

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: mPW1PW91/6-31G

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)