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	hartrees
Energy at 0K	-214.957020
Energy at 298.15K
HF Energy	-214.957020
Nuclear repulsion energy	79.365511

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	3870	3870	26.19	68.83	0.32	0.49
2	A	3155	3155	47.70	68.23	0.47	0.64
3	A	3046	3046	80.36	98.12	0.16	0.27
4	A	1555	1555	3.86	7.78	0.74	0.85
5	A	1489	1489	51.28	6.65	0.75	0.86
6	A	1427	1427	19.41	6.27	0.74	0.85
7	A	1291	1291	8.57	7.34	0.73	0.84
8	A	1179	1179	163.37	2.90	0.28	0.44
9	A	1099	1099	93.45	1.71	0.51	0.68
10	A	1029	1029	159.59	3.04	0.54	0.70
11	A	562	562	54.31	1.92	0.63	0.77
12	A	421	421	133.32	4.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.014	0.508	0.048
F2	1.130	-0.309	-0.027
O3	-1.140	-0.213	-0.116
H4	0.069	1.009	1.022
H5	0.064	1.222	-0.773
H6	-1.262	-0.797	0.636

	C1	F2	O3	H4	H5	H6
C1		1.3844	1.3702	1.0964	1.0895	1.9170
F2	1.3844		2.2732	1.9903	2.0086	2.5296
O3	1.3702	2.2732		2.0613	1.9847	0.9597
H4	1.0964	1.9903	2.0613		1.8073	2.2762
H5	1.0895	2.0086	1.9847	1.8073		2.7961
H6	1.9170	2.5296	0.9597	2.2762	2.7961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.470	F2	C1	O3	111.222
F2	C1	H4	106.112	F2	C1	H5	107.968
O3	C1	H4	112.908	O3	C1	H5	107.036
H4	C1	H5	111.543

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: wB97X-D/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	0.034
2	F	-0.279
3	O	-0.537
4	H	0.180
5	H	0.203
6	H	0.398

	x	y	z	Total
	-0.726	0.672	1.599	1.880
CHELPG
AIM
ESP

	x	y	z
x	2.421	0.198	-0.044
y	0.198	2.363	-0.156
z	-0.044	-0.156	2.261

<r²>	42.215
(<r²>)^1/2	6.497

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: wB97X-D/6-311G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)