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	hartrees
Energy at 0K	-47.551213
Energy at 298.15K
HF Energy	-47.551213
Nuclear repulsion energy	45.637839

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	3801	3801	22.05	91.54	0.29	0.45
2	A	3246	3246	42.42	73.80	0.51	0.67
3	A	3111	3111	92.08	119.30	0.13	0.23
4	A	1534	1534	1.42	8.99	0.73	0.84
5	A	1446	1446	26.01	6.40	0.75	0.86
6	A	1363	1363	13.83	9.26	0.73	0.85
7	A	1232	1232	5.29	8.14	0.71	0.83
8	A	1115	1115	137.69	6.92	0.29	0.45
9	A	1050	1050	130.36	3.05	0.72	0.84
10	A	947	947	157.16	8.89	0.35	0.52
11	A	508	508	81.22	3.81	0.63	0.77
12	A	394	394	169.80	7.41	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.004	0.537	0.050
F2	1.174	-0.318	-0.027
O3	-1.174	-0.222	-0.115
H4	0.071	1.028	1.032
H5	0.057	1.235	-0.789
H6	-1.322	-0.848	0.621

	C1	F2	O3	H4	H5	H6
C1		1.4508	1.4105	1.1001	1.0923	2.0006
F2	1.4508		2.3512	2.0365	2.0588	2.6321
O3	1.4105	2.3512		2.1040	2.0225	0.9780
H4	1.1001	2.0365	2.1040		1.8321	2.3727
H5	1.0923	2.0588	2.0225	1.8321		2.8685
H6	2.0006	2.6321	0.9780	2.3727	2.8685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	112.514	F2	C1	O3	110.509
F2	C1	H4	105.120	F2	C1	H5	107.268
O3	C1	H4	113.293	O3	C1	H5	107.140
H4	C1	H5	113.373

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: wB97X-D/CEP-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	-0.125
2	F	-0.259
3	O	-0.382
4	H	0.184
5	H	0.216
6	H	0.365

	x	y	z	Total
	-0.969	1.184	1.929	2.462
CHELPG
AIM
ESP

	x	y	z
x	2.488	0.159	-0.039
y	0.159	2.208	-0.206
z	-0.039	-0.206	1.988

<r²>	38.177
(<r²>)^1/2	6.179

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: wB97X-D/CEP-31G

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)