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	hartrees
Energy at 0K	-214.734061
Energy at 298.15K
HF Energy	-214.734061
Nuclear repulsion energy	78.440453

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	3696	3645	18.17	84.90	0.29	0.45
2	A	3028	2987	51.72	77.07	0.44	0.61
3	A	2928	2888	83.11	99.42	0.17	0.28
4	A	1490	1469	2.44	10.62	0.72	0.84
5	A	1419	1399	47.99	8.70	0.75	0.86
6	A	1367	1348	14.11	6.89	0.74	0.85
7	A	1224	1207	3.81	10.68	0.71	0.83
8	A	1117	1102	120.95	3.54	0.27	0.43
9	A	1046	1031	134.63	2.53	0.35	0.52
10	A	1000	986	93.30	2.95	0.57	0.72
11	A	527	520	39.86	2.18	0.64	0.78
12	A	392	386	106.65	5.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.015	0.508	0.049
F2	1.145	-0.309	-0.028
O3	-1.157	-0.217	-0.118
H4	0.066	1.028	1.028
H5	0.051	1.236	-0.779
H6	-1.259	-0.795	0.661

	C1	F2	O3	H4	H5	H6
C1		1.3966	1.3877	1.1098	1.1035	1.9224
F2	1.3966		2.3057	2.0170	2.0370	2.5483
O3	1.3877	2.3057		2.0874	2.0016	0.9757
H4	1.1098	2.0170	2.0874		1.8191	2.2834
H5	1.1035	2.0370	2.0016	1.8191		2.8136
H6	1.9224	2.5483	0.9757	2.2834	2.8136

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.585	F2	C1	O3	111.805
F2	C1	H4	106.603	F2	C1	H5	108.560
O3	C1	H4	112.927	O3	C1	H5	106.367
H4	C1	H5	110.551

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	0.231
2	F	-0.283
3	O	-0.471
4	H	0.092
5	H	0.119
6	H	0.313

	x	y	z	Total
	-0.625	0.480	1.411	1.616
CHELPG
AIM
ESP

	x	y	z
x	2.576	0.253	-0.050
y	0.253	2.504	-0.198
z	-0.050	-0.198	2.434

<r²>	42.877
(<r²>)^1/2	6.548

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)