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	hartrees
Energy at 0K	-215.058331
Energy at 298.15K
HF Energy	-215.058331
Nuclear repulsion energy	78.797495

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	3774	3642	39.07	78.41	0.19	0.32
2	A	3122	3014	28.24	65.85	0.48	0.65
3	A	3031	2926	55.21	119.18	0.10	0.17
4	A	1532	1478	1.51	3.87	0.73	0.85
5	A	1434	1384	25.07	1.53	0.73	0.84
6	A	1393	1344	14.23	2.57	0.47	0.64
7	A	1255	1211	7.46	3.17	0.56	0.72
8	A	1122	1083	113.21	5.74	0.12	0.21
9	A	1053	1017	106.80	0.56	0.23	0.38
10	A	976	942	179.74	4.03	0.45	0.62
11	A	528	510	25.83	1.16	0.50	0.66
12	A	386	373	107.52	1.95	0.73	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.012	0.514	0.047
F2	1.140	-0.311	-0.024
O3	-1.146	-0.220	-0.121
H4	0.065	1.012	1.019
H5	0.072	1.218	-0.781
H6	-1.300	-0.754	0.668

	C1	F2	O3	H4	H5	H6
C1		1.3986	1.3812	1.0935	1.0886	1.9282
F2	1.3986		2.2891	1.9982	2.0128	2.5747
O3	1.3812	2.2891		2.0694	1.9967	0.9654
H4	1.0935	1.9982	2.0694		1.8119	2.2598
H5	1.0886	2.0128	1.9967	1.8119		2.8062
H6	1.9282	2.5747	0.9654	2.2598	2.8062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.221	F2	C1	O3	110.859
F2	C1	H4	105.959	F2	C1	H5	107.390
O3	C1	H4	112.969	O3	C1	H5	107.292
H4	C1	H5	112.272

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: TPSSh/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	0.295
2	F	-0.396
3	O	-0.381
4	H	0.140
5	H	0.183
6	H	0.159

	x	y	z	Total
	-0.836	0.868	1.439	1.877
CHELPG
AIM
ESP

	x	y	z
x	3.575	0.125	-0.040
y	0.125	3.282	-0.056
z	-0.040	-0.056	3.087

<r²>	42.918
(<r²>)^1/2	6.551

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)