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	hartrees
Energy at 0K	-215.023922
Energy at 298.15K
HF Energy	-215.023922
Nuclear repulsion energy	77.876402

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	3651	3639	33.66	86.30	0.19	0.32
2	A	3044	3034	26.12	70.77	0.47	0.64
3	A	2957	2947	52.83	123.40	0.10	0.18
4	A	1479	1474	1.30	4.12	0.74	0.85
5	A	1387	1382	23.76	1.99	0.68	0.81
6	A	1354	1349	11.62	2.61	0.40	0.58
7	A	1213	1209	7.54	3.38	0.54	0.70
8	A	1068	1064	72.91	6.53	0.12	0.21
9	A	1021	1018	111.76	0.23	0.65	0.79
10	A	893	890	205.94	4.39	0.44	0.62
11	A	508	506	24.70	1.28	0.49	0.65
12	A	387	386	102.40	2.21	0.72	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.519	0.047
F2	1.159	-0.312	-0.024
O3	-1.159	-0.225	-0.122
H4	0.061	1.020	1.023
H5	0.066	1.224	-0.788
H6	-1.320	-0.754	0.679

	C1	F2	O3	H4	H5	H6
C1		1.4222	1.3936	1.0984	1.0937	1.9447
F2	1.4222		2.3213	2.0181	2.0333	2.6144
O3	1.3936	2.3213		2.0860	2.0109	0.9736
H4	1.0984	2.0181	2.0860		1.8222	2.2744
H5	1.0937	2.0333	2.0109	1.8222		2.8258
H6	1.9447	2.6144	0.9736	2.2744	2.8258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.191	F2	C1	O3	111.054
F2	C1	H4	105.671	F2	C1	H5	107.115
O3	C1	H4	113.140	O3	C1	H5	107.279
H4	C1	H5	112.464

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: BLYP/aug-cc-pVTZ

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	0.129
2	F	-0.402
3	O	-0.371
4	H	0.227
5	H	0.262
6	H	0.155

	x	y	z	Total
	-0.922	0.906	1.434	1.930
CHELPG
AIM
ESP

	x	y	z
x	3.858	0.126	-0.046
y	0.126	3.477	-0.053
z	-0.046	-0.053	3.254

<r²>	43.963
(<r²>)^1/2	6.630

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)