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	hartrees
Energy at 0K	-214.944778
Energy at 298.15K
HF Energy	-214.715152
Nuclear repulsion energy	79.165376

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	3842	3842	49.16	68.97	0.23	0.37
2	A	3161	3161	31.24	62.03	0.49	0.66
3	A	3069	3069	57.01	107.63	0.11	0.20
4	A	1549	1549	1.89	4.51	0.74	0.85
5	A	1463	1463	27.02	2.84	0.75	0.86
6	A	1410	1410	18.66	3.49	0.73	0.85
7	A	1280	1280	8.09	4.53	0.69	0.81
8	A	1145	1145	123.08	4.24	0.19	0.32
9	A	1077	1077	112.20	0.84	0.44	0.61
10	A	1009	1009	156.56	3.58	0.50	0.67
11	A	543	543	27.82	1.68	0.57	0.72
12	A	388	388	115.82	2.66	0.75	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.015	0.511	0.047
F2	1.133	-0.310	-0.025
O3	-1.142	-0.217	-0.119
H4	0.065	1.009	1.014
H5	0.072	1.218	-0.774
H6	-1.289	-0.759	0.660

	C1	F2	O3	H4	H5	H6
C1		1.3894	1.3767	1.0896	1.0847	1.9206
F2	1.3894		2.2791	1.9903	2.0054	2.5573
O3	1.3767	2.2791		2.0606	1.9905	0.9606
H4	1.0896	1.9903	2.0606		1.8002	2.2551
H5	1.0847	2.0054	1.9905	1.8002		2.7960
H6	1.9206	2.5573	0.9606	2.2551	2.7960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.213	F2	C1	O3	110.965
F2	C1	H4	106.183	F2	C1	H5	107.669
O3	C1	H4	112.823	O3	C1	H5	107.345
H4	C1	H5	111.779

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

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=FULLultrafine/Def2TZVPP

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)