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	hartrees
Energy at 0K	-212.728914
Energy at 298.15K
HF Energy	-212.728914
Nuclear repulsion energy	78.639049

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	3877	3500	33.61	84.64	0.33	0.49
2	A	3349	3023	49.80	69.06	0.44	0.61
3	A	3248	2932	73.92	86.35	0.18	0.30
4	A	1723	1555	4.83	13.91	0.74	0.85
5	A	1608	1452	48.04	6.80	0.75	0.86
6	A	1498	1352	24.12	11.23	0.75	0.85
7	A	1375	1241	15.55	9.15	0.74	0.85
8	A	1199	1082	171.44	5.73	0.59	0.74
9	A	1170	1056	71.61	5.05	0.35	0.52
10	A	1101	994	122.78	3.84	0.21	0.34
11	A	559	504	79.33	2.04	0.67	0.80
12	A	371	335	167.97	6.88	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.025	0.520	0.049
F2	1.138	-0.316	-0.029
O3	-1.159	-0.204	-0.106
H4	0.078	1.025	1.001
H5	0.061	1.224	-0.759
H6	-1.260	-0.886	0.572

	C1	F2	O3	H4	H5	H6
C1		1.3941	1.3969	1.0789	1.0725	1.9749
F2	1.3941		2.3015	1.9964	2.0163	2.5368
O3	1.3969	2.3015		2.0653	1.9887	0.9666
H4	1.0789	1.9964	2.0653		1.7712	2.3714
H5	1.0725	2.0163	1.9887	1.7712		2.8225
H6	1.9749	2.5368	0.9666	2.3714	2.8225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	112.066	F2	C1	O3	111.102
F2	C1	H4	106.973	F2	C1	H5	108.960
O3	C1	H4	112.428	O3	C1	H5	106.547
H4	C1	H5	110.827

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: HF/3-21G*

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	0.322
2	F	-0.420
3	O	-0.703
4	H	0.184
5	H	0.222
6	H	0.395

	x	y	z	Total
	-0.542	0.863	1.668	1.955
CHELPG
AIM
ESP

	x	y	z
x	1.851	0.222	-0.043
y	0.222	1.912	-0.242
z	-0.043	-0.242	1.775

<r²>	42.884
(<r²>)^1/2	6.549

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)