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	hartrees
Energy at 0K	-215.057783
Energy at 298.15K
HF Energy	-215.057783
Nuclear repulsion energy	79.014358

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	3805	3678	41.43	71.47	0.26	0.41
2	A	3109	3005	37.07	69.32	0.46	0.63
3	A	3021	2920	63.96	110.54	0.12	0.21
4	A	1532	1480	1.70	5.24	0.71	0.83
5	A	1449	1401	27.39	3.25	0.75	0.85
6	A	1400	1354	20.33	3.51	0.74	0.85
7	A	1267	1225	8.35	4.85	0.69	0.82
8	A	1132	1094	116.36	3.62	0.22	0.36
9	A	1067	1032	112.38	0.98	0.45	0.62
10	A	1000	967	153.39	2.96	0.60	0.75
11	A	540	522	27.82	1.72	0.59	0.74
12	A	389	376	112.93	3.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.015	0.510	0.047
F2	1.136	-0.310	-0.025
O3	-1.145	-0.217	-0.119
H4	0.066	1.014	1.016
H5	0.071	1.221	-0.776
H6	-1.293	-0.763	0.660

	C1	F2	O3	H4	H5	H6
C1		1.3909	1.3786	1.0935	1.0886	1.9251
F2	1.3909		2.2844	1.9955	2.0105	2.5636
O3	1.3786	2.2844		2.0664	1.9940	0.9631
H4	1.0935	1.9955	2.0664		1.8034	2.2653
H5	1.0886	2.0105	1.9940	1.8034		2.8030
H6	1.9251	2.5636	0.9631	2.2653	2.8030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	109.314	F2	C1	O3	111.145
F2	C1	H4	106.252	F2	C1	H5	107.729
O3	C1	H4	112.914	O3	C1	H5	107.259
H4	C1	H5	111.467

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B3LYP/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	0.253
2	F	-0.246
3	O	-0.302
4	H	0.028
5	H	0.061
6	H	0.206

	x	y	z	Total
	-0.796	0.763	1.439	1.813
CHELPG
AIM
ESP

	x	y	z
x	2.934	0.179	-0.051
y	0.179	2.765	-0.119
z	-0.051	-0.119	2.636

<r²>	42.633
(<r²>)^1/2	6.529

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)