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	hartrees
Energy at 0K	-214.941438
Energy at 298.15K
HF Energy	-214.708203
Nuclear repulsion energy	79.096874

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	3829	3673	50.98	73.21	0.17	0.29
2	A	3159	3030	24.71	60.11	0.47	0.64
3	A	3074	2948	51.00	113.03	0.09	0.17
4	A	1550	1486	1.23	3.60	0.74	0.85
5	A	1453	1393	23.39	1.24	0.74	0.85
6	A	1405	1347	17.46	2.52	0.50	0.67
7	A	1273	1221	8.36	2.92	0.56	0.72
8	A	1141	1094	122.82	5.75	0.11	0.20
9	A	1073	1029	106.12	0.59	0.21	0.35
10	A	996	955	170.50	4.43	0.41	0.58
11	A	539	517	25.22	1.23	0.47	0.64
12	A	383	367	112.74	1.68	0.72	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.014	0.512	0.047
F2	1.134	-0.311	-0.025
O3	-1.142	-0.218	-0.120
H4	0.065	1.009	1.015
H5	0.073	1.217	-0.775
H6	-1.295	-0.757	0.662

	C1	F2	O3	H4	H5	H6
C1		1.3920	1.3773	1.0892	1.0847	1.9238
F2	1.3920		2.2802	1.9912	2.0061	2.5634
O3	1.3773	2.2802		2.0612	1.9919	0.9615
H4	1.0892	1.9912	2.0612		1.8020	2.2561
H5	1.0847	2.0061	1.9919	1.8020		2.7991
H6	1.9238	2.5634	0.9615	2.2561	2.7991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.398	F2	C1	O3	110.850
F2	C1	H4	106.103	F2	C1	H5	107.541
O3	C1	H4	112.860	O3	C1	H5	107.417
H4	C1	H5	111.980

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B2PLYP=FULLultrafine/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	-0.004
2	F	-0.391
3	O	-0.398
4	H	0.291
5	H	0.322
6	H	0.179

	x	y	z	Total
	-0.811	0.900	1.461	1.898
CHELPG
AIM
ESP

	x	y	z
x	3.486	0.113	-0.037
y	0.113	3.210	-0.053
z	-0.037	-0.053	3.018

<r²>	42.767
(<r²>)^1/2	6.540

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)