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	hartrees
Energy at 0K	-214.941963
Energy at 298.15K
HF Energy	-214.941963
Nuclear repulsion energy	78.559321

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	3750	3701	34.69	76.37	0.21	0.34
2	A	3057	3018	33.80	68.73	0.48	0.64
3	A	2965	2926	63.24	113.51	0.11	0.20
4	A	1492	1473	1.55	4.28	0.75	0.86
5	A	1406	1388	23.75	2.04	0.74	0.85
6	A	1369	1351	12.57	2.52	0.52	0.68
7	A	1234	1218	7.00	3.54	0.60	0.75
8	A	1097	1083	96.54	5.52	0.13	0.23
9	A	1038	1025	105.86	0.39	0.53	0.69
10	A	933	920	197.84	3.85	0.46	0.63
11	A	522	516	25.14	1.31	0.47	0.64
12	A	387	382	107.36	1.86	0.74	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.010	0.512	0.046
F2	1.146	-0.310	-0.025
O3	-1.150	-0.221	-0.121
H4	0.063	1.014	1.022
H5	0.068	1.222	-0.783
H6	-1.303	-0.754	0.670

	C1	F2	O3	H4	H5	H6
C1		1.4042	1.3826	1.0984	1.0931	1.9275
F2	1.4042		2.2999	2.0052	2.0206	2.5839
O3	1.3826	2.2999		2.0748	2.0013	0.9657
H4	1.0984	2.0052	2.0748		1.8168	2.2619
H5	1.0931	2.0206	2.0013	1.8168		2.8097
H6	1.9275	2.5839	0.9657	2.2619	2.8097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.035	F2	C1	O3	111.234
F2	C1	H4	105.854	F2	C1	H5	107.366
O3	C1	H4	113.000	O3	C1	H5	107.296
H4	C1	H5	111.998

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.551
2	F	-0.424
3	O	-0.531
4	H	0.098
5	H	0.097
6	H	0.208

	x	y	z	Total
	-0.861	0.844	1.435	1.874
CHELPG
AIM
ESP

	x	y	z
x	3.605	0.124	-0.038
y	0.124	3.240	-0.040
z	-0.038	-0.040	3.029

<r²>	43.180
(<r²>)^1/2	6.571

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)