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	hartrees
Energy at 0K	-214.778188
Energy at 298.15K
HF Energy	-214.613642
Nuclear repulsion energy	79.056349

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	3852	3852	31.95	73.07	0.29	0.45
2	A	3173	3173	49.80	66.38	0.48	0.65
3	A	3071	3071	75.13	92.40	0.15	0.26
4	A	1575	1575	3.68	9.54	0.73	0.84
5	A	1492	1492	53.07	6.92	0.75	0.86
6	A	1419	1419	20.04	6.78	0.75	0.86
7	A	1285	1285	6.38	8.82	0.72	0.84
8	A	1164	1164	139.45	3.92	0.28	0.44
9	A	1097	1097	133.85	2.55	0.38	0.55
10	A	1047	1047	92.82	3.08	0.49	0.66
11	A	546	546	42.78	1.96	0.63	0.78
12	A	390	390	119.79	4.96	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.017	0.509	0.049
F2	1.134	-0.309	-0.028
O3	-1.148	-0.214	-0.116
H4	0.066	1.016	1.018
H5	0.058	1.228	-0.768
H6	-1.247	-0.804	0.641

	C1	F2	O3	H4	H5	H6
C1		1.3870	1.3805	1.0951	1.0892	1.9163
F2	1.3870		2.2857	1.9978	2.0170	2.5224
O3	1.3805	2.2857		2.0665	1.9900	0.9648
H4	1.0951	1.9978	2.0665		1.7991	2.2755
H5	1.0892	2.0170	1.9900	1.7991		2.7964
H6	1.9163	2.5224	0.9648	2.2755	2.7964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.279	F2	C1	O3	111.361
F2	C1	H4	106.613	F2	C1	H5	108.492
O3	C1	H4	112.674	O3	C1	H5	106.773
H4	C1	H5	110.903

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B2PLYP=FULL/6-31G**

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)