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	hartrees
Energy at 0K	-215.013234
Energy at 298.15K
HF Energy	-215.013234
Nuclear repulsion energy	79.427833

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	3900	3900	51.24	69.03	0.18	0.31
2	A	3134	3134	28.86	61.46	0.46	0.63
3	A	3044	3044	56.40	113.99	0.09	0.17
4	A	1538	1538	1.50	3.56	0.74	0.85
5	A	1453	1453	25.38	1.35	0.74	0.85
6	A	1406	1406	18.98	2.50	0.47	0.64
7	A	1278	1278	7.57	3.11	0.56	0.72
8	A	1166	1166	141.73	4.59	0.12	0.21
9	A	1080	1080	103.73	0.86	0.17	0.30
10	A	1017	1017	160.32	3.82	0.42	0.59
11	A	549	549	25.14	1.09	0.48	0.65
12	A	388	388	114.98	1.45	0.73	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.015	0.507	0.046
F2	1.129	-0.310	-0.024
O3	-1.137	-0.217	-0.119
H4	0.065	1.011	1.015
H5	0.075	1.219	-0.775
H6	-1.296	-0.752	0.658

	C1	F2	O3	H4	H5	H6
C1		1.3826	1.3706	1.0933	1.0882	1.9180
F2	1.3826		2.2692	1.9889	2.0026	2.5569
O3	1.3706	2.2692		2.0584	1.9899	0.9572
H4	1.0933	1.9889	2.0584		1.8022	2.2550
H5	1.0882	2.0026	1.9899	1.8022		2.7959
H6	1.9180	2.5569	0.9572	2.2550	2.7959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.687	F2	C1	O3	111.017
F2	C1	H4	106.306	F2	C1	H5	107.699
O3	C1	H4	112.835	O3	C1	H5	107.497
H4	C1	H5	111.406

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: wB97X-D/aug-cc-pVQZ

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	0.707
2	F	-0.558
3	O	-0.666
4	H	0.053
5	H	0.135
6	H	0.330

	x	y	z	Total
	-0.790	0.836	1.457	1.856
CHELPG
AIM
ESP

	x	y	z
x	3.420	0.115	-0.035
y	0.115	3.197	-0.048
z	-0.035	-0.048	3.028

<r²>	42.333
(<r²>)^1/2	6.506

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: wB97X-D/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)